2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid

C16H22N2O3 — CID 81164548

IUPAC2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid
SMILESNCC(C(=O)NCC1(CC(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c17-10-13(12-5-2-1-3-6-12)15(21)18-11-16(7-4-8-16)9-14(19)20/h1-3,5-6,13H,4,7-11,17H2,(H,18,21)(H,19,20)
InChIKeySIAZRZGUOKXYKH-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.49
Rot. Bonds7

About 2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81164548) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81164548
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid
SMILESNCC(C(=O)NCC1(CC(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c17-10-13(12-5-2-1-3-6-12)15(21)18-11-16(7-4-8-16)9-14(19)20/h1-3,5-6,13H,4,7-11,17H2,(H,18,21)(H,19,20)
InChIKeySIAZRZGUOKXYKH-UHFFFAOYSA-N
XLogP1.49
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic 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

3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide
CID 103812586
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
CID 103970144
2-[1-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164897
2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid
CID 11507997
2-[1-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]cyclobutyl]acetic acid
CID 107472478
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide
CID 110416741
2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid
CID 81161274
2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81164735
N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide
CID 119404563
2-[1-[[3-(2-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 107273261
2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81161542
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
CID 115643598

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid (CID 81164548) is 2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid is NCC(C(=O)NCC1(CC(=O)O)CCC1)c1ccccc1.
What is the InChIKey of 2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is SIAZRZGUOKXYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-10-13(12-5-2-1-3-6-12)15(21)18-11-16(7-4-8-16)9-14(19)20/h1-3,5-6,13H,4,7-11,17H2,(H,18,21)(H,19,20).
What are the key properties of 2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).