2-[benzyl(cyclopropyl)amino]propanoic acid

C13H17NO2 — CID 119134457

IUPAC2-[benzyl(cyclopropyl)amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C13H17NO2/c1-10(13(15)16)14(12-7-8-12)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)
InChIKeyRPQCDCWJJSXTLR-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.12
Rot. Bonds5

About 2-[benzyl(cyclopropyl)amino]propanoic acid

2-[benzyl(cyclopropyl)amino]propanoic acid (PubChem CID 119134457) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[benzyl(cyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[benzyl(cyclopropyl)amino]propanoic acid
PubChem CID119134457
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[benzyl(cyclopropyl)amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C13H17NO2/c1-10(13(15)16)14(12-7-8-12)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)
InChIKeyRPQCDCWJJSXTLR-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[benzyl(cyclopropyl)amino]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

2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid
CID 119134911
2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 122083043
2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid
CID 122100606
2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid
CID 122100417
2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
CID 61448732
2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid
CID 122082931
2-[cyclopropyl-[(2-nitrophenyl)methyl]amino]propanoic acid
CID 119994912
(2S)-2-[benzyl(cyclopropyl)amino]-3-methylbutan-1-ol
CID 118917713
2-[[2-(2-benzylanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122100876
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
2-[cyclopropyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 122083006
2-[[3-(benzylcarbamoylamino)-3-oxopropyl]-cyclopropylamino]propanoic acid
CID 122100535

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(cyclopropyl)amino]propanoic acid?
The IUPAC name of 2-[benzyl(cyclopropyl)amino]propanoic acid (CID 119134457) is 2-[benzyl(cyclopropyl)amino]propanoic acid.
What is the SMILES notation for 2-[benzyl(cyclopropyl)amino]propanoic acid?
The canonical SMILES for 2-[benzyl(cyclopropyl)amino]propanoic acid is CC(C(=O)O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of 2-[benzyl(cyclopropyl)amino]propanoic acid?
The InChIKey is RPQCDCWJJSXTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(13(15)16)14(12-7-8-12)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16).
What are the key properties of 2-[benzyl(cyclopropyl)amino]propanoic acid?
2-[benzyl(cyclopropyl)amino]propanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(cyclopropyl)amino]propanoic acid is sourced from PubChem (CID 119134457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).