3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid

C15H19NO4 — CID 93332714

IUPAC3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid
SMILESCc1ccccc1N(CCC(=O)O)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C15H19NO4/c1-11-5-2-3-6-12(11)16(9-8-14(17)18)15(19)13-7-4-10-20-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeySMZFISLRCYTFRC-ZDUSSCGKSA-N
MW277.32 g/mol
LogP1.98
Rot. Bonds5

About 3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid

3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid (PubChem CID 93332714) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid.

Molecular Properties

Compound Name3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid
PubChem CID93332714
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid
SMILESCc1ccccc1N(CCC(=O)O)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C15H19NO4/c1-11-5-2-3-6-12(11)16(9-8-14(17)18)15(19)13-7-4-10-20-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeySMZFISLRCYTFRC-ZDUSSCGKSA-N
XLogP1.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)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-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid
CID 93332713
3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid
CID 60831633
3-[3,5-dimethyl-N-(oxolane-2-carbonyl)anilino]propanoic acid
CID 82321438
3-[2-methyl-N-(oxolan-2-ylmethyl)anilino]propanoic acid
CID 60840608
4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid
CID 104855556
3-[2-methyl-N-[2-(oxolan-2-yl)ethyl]anilino]propanoic acid
CID 65162196
N-(2-aminophenyl)-N-propyloxolane-2-carboxamide
CID 63230184
3-[2-methyl-N-(oxan-3-yl)anilino]propanoic acid
CID 65059140
3-[methyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 93398627
N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42891560
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[N-(2-ethylbutanoyl)-2-methylanilino]propanoic acid
CID 28764123

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid?
The IUPAC name of 3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid (CID 93332714) is 3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid.
What is the SMILES notation for 3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid?
The canonical SMILES for 3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid is Cc1ccccc1N(CCC(=O)O)C(=O)[C@@H]1CCCO1.
What is the InChIKey of 3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid?
The InChIKey is SMZFISLRCYTFRC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-5-2-3-6-12(11)16(9-8-14(17)18)15(19)13-7-4-10-20-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid?
3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid is sourced from PubChem (CID 93332714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).