4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid

C15H19NO4 — CID 104855556

IUPAC4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid
SMILESO=C(O)CCCN(C(=O)[C@H]1CCCO1)c1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(18)9-4-10-16(12-6-2-1-3-7-12)15(19)13-8-5-11-20-13/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)/t13-/m1/s1
InChIKeyOAUWUSGJCCVTPN-CYBMUJFWSA-N
MW277.32 g/mol
LogP2.06
Rot. Bonds6

About 4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid

4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid (PubChem CID 104855556) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid.

Molecular Properties

Compound Name4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid
PubChem CID104855556
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid
SMILESO=C(O)CCCN(C(=O)[C@H]1CCCO1)c1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(18)9-4-10-16(12-6-2-1-3-7-12)15(19)13-8-5-11-20-13/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)/t13-/m1/s1
InChIKeyOAUWUSGJCCVTPN-CYBMUJFWSA-N
XLogP2.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid
CID 93332713
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
4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855520
(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide
CID 95785400
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyloxolane-2-carboxamide
CID 4270756
4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid
CID 61187931
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
3-[methyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 93398627
(2R,5S)-5-[butyl(phenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945334
4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid
CID 61159538
3-[N-(piperidine-2-carbonyl)anilino]propanoic acid
CID 61160685

Frequently Asked Questions

What is the IUPAC name of 4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid?
The IUPAC name of 4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid (CID 104855556) is 4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid.
What is the SMILES notation for 4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid?
The canonical SMILES for 4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid is O=C(O)CCCN(C(=O)[C@H]1CCCO1)c1ccccc1.
What is the InChIKey of 4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid?
The InChIKey is OAUWUSGJCCVTPN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(18)9-4-10-16(12-6-2-1-3-7-12)15(19)13-8-5-11-20-13/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)/t13-/m1/s1.
What are the key properties of 4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid?
4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid is sourced from PubChem (CID 104855556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).