2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid

C7H12ClNO2 — CID 62637426

IUPAC2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C/C=C/Cl
InChIInChI=1S/C7H12ClNO2/c1-6(7(10)11)9(2)5-3-4-8/h3-4,6H,5H2,1-2H3,(H,10,11)/b4-3+
InChIKeyDDYRTVUVMRTQSP-ONEGZZNKSA-N
MW177.63 g/mol
LogP1.14
Rot. Bonds4

About 2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid

2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid (PubChem CID 62637426) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid
PubChem CID62637426
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C/C=C/Cl
InChIInChI=1S/C7H12ClNO2/c1-6(7(10)11)9(2)5-3-4-8/h3-4,6H,5H2,1-2H3,(H,10,11)/b4-3+
InChIKeyDDYRTVUVMRTQSP-ONEGZZNKSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine
CID 131248157
N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine
CID 131246188
3-[3-chloroprop-2-enyl(ethyl)amino]-2-methylpropanoic acid
CID 76950809
(E)-5-chloro-2-methylpent-4-enoic acid
CID 107900872
2-[methyl(2-oxopropyl)amino]propanoic acid
CID 59576342
2-[[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-methylamino]propanoic acid
CID 122036742
1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol
CID 76940071
(E,2S)-5-chloro-2-propan-2-ylpent-4-enoic acid
CID 11513844
2-[[(E)-but-2-enyl]-methylamino]propanedioic acid
CID 172778967
2-[4-cyanobutyl(methyl)amino]propanoic acid
CID 62638342
2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 43216485
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid (CID 62637426) is 2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C/C=C/Cl.
What is the InChIKey of 2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid?
The InChIKey is DDYRTVUVMRTQSP-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-6(7(10)11)9(2)5-3-4-8/h3-4,6H,5H2,1-2H3,(H,10,11)/b4-3+.
What are the key properties of 2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid?
2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid has a molecular weight of 177.63 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid is sourced from PubChem (CID 62637426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).