(2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid

(2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid

CAS: 126453-07-4

Formula: C8H17N2O5P

SMILES: OC(=O)[C@H]1CN(CCCP(O)(O)=O)CCN1

IUPAC: (2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid

InChI: InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/m1/s1

Composition: C (38.10%), H (6.79%), N (11.11%), O (31.72%), P (12.28%)

Molar Mass: 252.207

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	252.087508653
Formal Charge	0
FSP3	0.87
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
InChIKey	CUVGUPIVTLGRGI-SSDOTTSWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.77
Topological Polar Surface Area	110.1
Polarizability	22.7
Ring Count	1
Rotatable Bond Count	5

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