2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid

C14H20N2O3 — CID 104984270

IUPAC2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-16(10-13(17)18)14(19)12(15)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyQUXSVIHTMNEWOL-LBPRGKRZSA-N
MW264.32 g/mol
LogP0.88
Rot. Bonds7

About 2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid

2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid (PubChem CID 104984270) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
PubChem CID104984270
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-16(10-13(17)18)14(19)12(15)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyQUXSVIHTMNEWOL-LBPRGKRZSA-N
XLogP0.88
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]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

(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide
CID 104983828
2-[(2-amino-4-phenylbutanoyl)-propylamino]acetic acid
CID 114927997
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide
CID 104983957
2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide
CID 114926862
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
CID 104984084
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
3-amino-5-phenylpentan-2-one;propane
CID 143988472
(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
CID 104983873
2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
CID 119264050

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid (CID 104984270) is 2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of 2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid?
The InChIKey is QUXSVIHTMNEWOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-16(10-13(17)18)14(19)12(15)9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid?
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid is sourced from PubChem (CID 104984270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).