(2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate

C14H15ClNO4- — CID 7769521

IUPAC(2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate
SMILESO=C(C[C@@H](C(=O)[O-])[C@@H]1CCCO1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO4/c15-9-3-5-10(6-4-9)16-13(17)8-11(14(18)19)12-2-1-7-20-12/h3-6,11-12H,1-2,7-8H2,(H,16,17)(H,18,19)/p-1/t11-,12+/m1/s1
InChIKeyMEJABMTWTKDDTH-NEPJUHHUSA-M
MW296.73 g/mol
LogP1.21
Rot. Bonds5

About (2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate

(2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate (PubChem CID 7769521) has the molecular formula C14H15ClNO4- and a molecular weight of 296.73 g/mol. Its IUPAC name is (2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate.

Molecular Properties

Compound Name(2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate
PubChem CID7769521
Molecular FormulaC14H15ClNO4-
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name(2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate
SMILESO=C(C[C@@H](C(=O)[O-])[C@@H]1CCCO1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO4/c15-9-3-5-10(6-4-9)16-13(17)8-11(14(18)19)12-2-1-7-20-12/h3-6,11-12H,1-2,7-8H2,(H,16,17)(H,18,19)/p-1/t11-,12+/m1/s1
InChIKeyMEJABMTWTKDDTH-NEPJUHHUSA-M
XLogP1.21
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate with MolForge

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Related Compounds

(2S)-4-(4-fluoroanilino)-4-oxo-2-[(2R)-oxolan-2-yl]butanoic acid
CID 7283075
(2S)-4-(4-methylanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoic acid
CID 791020
(2S)-4-(3-chloro-2-methylanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate
CID 6941171
N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide
CID 47229364
(2S)-4-(4-methylanilino)-4-oxo-2-[[(2S)-oxolan-2-yl]methylazaniumyl]butanoate
CID 7124251
(3R)-4-anilino-4-oxo-3-[(2S)-oxolan-2-yl]butanoic acid
CID 744803
1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]thiourea
CID 19675893
(2R)-4-(benzylamino)-4-oxo-2-[(2R)-oxolan-2-yl]butanoic acid
CID 670915
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
1-(4-chlorophenyl)-3-(oxolan-2-yl)urea
CID 110706711
(2R)-4-(4-methoxyanilino)-4-oxo-2-[[(2S)-oxolan-2-yl]methylazaniumyl]butanoate
CID 7166117
N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide
CID 47067239

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate?
The IUPAC name of (2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate (CID 7769521) is (2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate.
What is the SMILES notation for (2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate?
The canonical SMILES for (2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate is O=C(C[C@@H](C(=O)[O-])[C@@H]1CCCO1)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate?
The InChIKey is MEJABMTWTKDDTH-NEPJUHHUSA-M. The full InChI is InChI=1S/C14H16ClNO4/c15-9-3-5-10(6-4-9)16-13(17)8-11(14(18)19)12-2-1-7-20-12/h3-6,11-12H,1-2,7-8H2,(H,16,17)(H,18,19)/p-1/t11-,12+/m1/s1.
What are the key properties of (2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate?
(2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate has a molecular weight of 296.73 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate is sourced from PubChem (CID 7769521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).