2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid

C15H21NO3 — CID 101407950

IUPAC2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
SMILESCC(C)Cc1ccc([C@H](C)C(=O)NCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-10(2)8-12-4-6-13(7-5-12)11(3)15(19)16-9-14(17)18/h4-7,10-11H,8-9H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKeyLTAWAYHSIMQTJI-NSHDSACASA-N
MW263.34 g/mol
LogP2.19
Rot. Bonds6

About 2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid

2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid (PubChem CID 101407950) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
PubChem CID101407950
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
SMILESCC(C)Cc1ccc([C@H](C)C(=O)NCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-10(2)8-12-4-6-13(7-5-12)11(3)15(19)16-9-14(17)18/h4-7,10-11H,8-9H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKeyLTAWAYHSIMQTJI-NSHDSACASA-N
XLogP2.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]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-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
2-[2-(4-bromophenyl)propanoylamino]acetic acid
CID 120513559
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 118460057
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 162646835
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride
CID 85078663
trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium
CID 10274425
2-[carboxymethyl-[8-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]octyl]amino]acetic acid
CID 170115875

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid (CID 101407950) is 2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid is CC(C)Cc1ccc([C@H](C)C(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid?
The InChIKey is LTAWAYHSIMQTJI-NSHDSACASA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)8-12-4-6-13(7-5-12)11(3)15(19)16-9-14(17)18/h4-7,10-11H,8-9H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1.
What are the key properties of 2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid?
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid is sourced from PubChem (CID 101407950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).