3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid

C14H19NO5 — CID 3102731

IUPAC3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid
SMILESCC(C)COc1ccccc1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C14H19NO5/c1-9(2)8-20-12-6-4-3-5-10(12)13(17)15-11(7-16)14(18)19/h3-6,9,11,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyANAOXQPNAIEGRU-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.90
Rot. Bonds7

About 3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid

3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid (PubChem CID 3102731) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid
PubChem CID3102731
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid
SMILESCC(C)COc1ccccc1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C14H19NO5/c1-9(2)8-20-12-6-4-3-5-10(12)13(17)15-11(7-16)14(18)19/h3-6,9,11,16H,7-8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyANAOXQPNAIEGRU-UHFFFAOYSA-N
XLogP0.90
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]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

3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid
CID 3102729
ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate
CID 43877625
2-(2-methylpropoxy)-N-(1-phenylpropyl)benzamide
CID 43911530
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119364108
(2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid
CID 30120326
sulfanyl 2-(2-methylpropoxy)benzoate
CID 166873129
(2S)-2-[(2-ethoxybenzoyl)amino]-4-sulfanylbutanoic acid
CID 142708981
2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid
CID 110463513
(2S)-2-[[(2S)-2-[[2-[(2S)-2-amino-4-methylpentoxy]-4-methylbenzoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid
CID 155989495
2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoic acid
CID 656417
N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
CID 4945346

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid (CID 3102731) is 3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid is CC(C)COc1ccccc1C(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid?
The InChIKey is ANAOXQPNAIEGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9(2)8-20-12-6-4-3-5-10(12)13(17)15-11(7-16)14(18)19/h3-6,9,11,16H,7-8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid?
3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid is sourced from PubChem (CID 3102731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).