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

C14H17NO4 — CID 93332713

IUPAC3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid
SMILESO=C(O)CCN(C(=O)[C@H]1CCCO1)c1ccccc1
InChIInChI=1S/C14H17NO4/c16-13(17)8-9-15(11-5-2-1-3-6-11)14(18)12-7-4-10-19-12/h1-3,5-6,12H,4,7-10H2,(H,16,17)/t12-/m1/s1
InChIKeyGULIBWJEFASSPH-GFCCVEGCSA-N
MW263.29 g/mol
LogP1.67
Rot. Bonds5

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

3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid (PubChem CID 93332713) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid.

Molecular Properties

Compound Name3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid
PubChem CID93332713
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid
SMILESO=C(O)CCN(C(=O)[C@H]1CCCO1)c1ccccc1
InChIInChI=1S/C14H17NO4/c16-13(17)8-9-15(11-5-2-1-3-6-11)14(18)12-7-4-10-19-12/h1-3,5-6,12H,4,7-10H2,(H,16,17)/t12-/m1/s1
InChIKeyGULIBWJEFASSPH-GFCCVEGCSA-N
XLogP1.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(N-[(2R)-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

4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid
CID 104855556
3-[3,5-dimethyl-N-(oxolane-2-carbonyl)anilino]propanoic acid
CID 82321438
3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid
CID 93332714
(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide
CID 95785400
3-[methyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 93398627
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 61159722
3-[N-(piperidine-2-carbonyl)anilino]propanoic acid
CID 61160685
3-[N-(piperidine-3-carbonyl)anilino]propanoic acid
CID 61160684
3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 63046094
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyloxolane-2-carboxamide
CID 4270756
N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000338

Frequently Asked Questions

What is the IUPAC name of 3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid?
The IUPAC name of 3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid (CID 93332713) is 3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid.
What is the SMILES notation for 3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid?
The canonical SMILES for 3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid is O=C(O)CCN(C(=O)[C@H]1CCCO1)c1ccccc1.
What is the InChIKey of 3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid?
The InChIKey is GULIBWJEFASSPH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(17)8-9-15(11-5-2-1-3-6-11)14(18)12-7-4-10-19-12/h1-3,5-6,12H,4,7-10H2,(H,16,17)/t12-/m1/s1.
What are the key properties of 3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid?
3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid is sourced from PubChem (CID 93332713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).