methyl (2Z)-3-aminobut-2-enoate

methyl (2Z)-3-aminobut-2-enoate

CAS: 14205-39-1

Formula: C5H9NO2

SMILES: COC(=O)C=C(C)N

IUPAC: methyl (2Z)-3-aminobut-2-enoate

InChI: InChI=1S/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3/b4-3-

Composition: C (52.16%), H (7.88%), N (12.17%), O (27.79%)

Molar Mass: 115.132

Atom Count: 17

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	115.063328534
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XKORCTIIRYKLLG-ARJAWSKDSA-N
Lipinski's Rule of Five	1
Molar Refractivity	31.51
Topological Polar Surface Area	52.32
Polarizability	11.63
Ring Count	0
Rotatable Bond Count	2

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