2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid

C14H20N2O3 — CID 65224591

IUPAC2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)C(C)(N)c1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-10(12(17)18)9-16-13(19)14(2,15)11-7-5-4-6-8-11/h4-8,10H,3,9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyIIJIKNGCSRUJGH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.09
Rot. Bonds6

About 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid

2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid (PubChem CID 65224591) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
PubChem CID65224591
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)C(C)(N)c1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-10(12(17)18)9-16-13(19)14(2,15)11-7-5-4-6-8-11/h4-8,10H,3,9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyIIJIKNGCSRUJGH-UHFFFAOYSA-N
XLogP1.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,2-difluoroethyl)-2-phenylpropanamide
CID 115406878
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylpropanamide
CID 62488600
2-amino-N-(3-methyl-2-phenylbutyl)-2-phenylpropanamide;hydrochloride
CID 120589227
2-amino-N-(2-phenoxypropyl)-2-phenylpropanamide
CID 120589356
2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride
CID 120595114
2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]butanoic acid
CID 79811364
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-amino-N-(2-methoxy-3-methylbutyl)-2-phenylpropanamide;hydrochloride
CID 120593921
2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]-2-phenylpropanamide;dihydrochloride
CID 120597356
2-amino-N-[2-(3-fluorophenoxy)butyl]-2-phenylpropanamide
CID 120593918
2-amino-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-phenylpropanamide
CID 120595092
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)-2-phenylpropanamide
CID 120589210

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid (CID 65224591) is 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid is CCC(CNC(=O)C(C)(N)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid?
The InChIKey is IIJIKNGCSRUJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-10(12(17)18)9-16-13(19)14(2,15)11-7-5-4-6-8-11/h4-8,10H,3,9,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid?
2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65224591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).