(2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate

C18H18NO3- — CID 6944580

IUPAC(2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate
SMILESC[C@@H](c1ccccc1)[C@@H](CC(=O)Nc1ccccc1)C(=O)[O-]
InChIInChI=1S/C18H19NO3/c1-13(14-8-4-2-5-9-14)16(18(21)22)12-17(20)19-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,19,20)(H,21,22)/p-1/t13-,16+/m0/s1
InChIKeyBDMDXLRFUPFFHD-XJKSGUPXSA-M
MW296.35 g/mol
LogP2.18
Rot. Bonds6

About (2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate

(2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate (PubChem CID 6944580) has the molecular formula C18H18NO3- and a molecular weight of 296.35 g/mol. Its IUPAC name is (2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate.

Molecular Properties

Compound Name(2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate
PubChem CID6944580
Molecular FormulaC18H18NO3-
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name(2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate
SMILESC[C@@H](c1ccccc1)[C@@H](CC(=O)Nc1ccccc1)C(=O)[O-]
InChIInChI=1S/C18H19NO3/c1-13(14-8-4-2-5-9-14)16(18(21)22)12-17(20)19-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,19,20)(H,21,22)/p-1/t13-,16+/m0/s1
InChIKeyBDMDXLRFUPFFHD-XJKSGUPXSA-M
XLogP2.18
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate 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

(2S)-4-(4-fluoroanilino)-4-oxo-2-[(1R)-1-phenylethyl]butanoate
CID 6919422
(2R)-4-(4-fluoroanilino)-4-oxo-2-[(1S)-1-phenylethyl]butanoate
CID 6919421
(2R)-4-(4-chloroanilino)-4-oxo-2-[(1R)-1-phenylethyl]butanoic acid
CID 93036339
(2S)-4-(3,4-dichloroanilino)-4-oxo-2-[(1S)-1-phenylethyl]butanoic acid
CID 1125985
(2S)-4-anilino-2-azaniumyl-4-oxobutanoate
CID 7060602
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
(2R)-4-(2-iodoanilino)-4-oxo-2-[(1S)-1-phenylethyl]butanoic acid
CID 1117855
4-(2-iodoanilino)-4-oxo-2-(1-phenylethyl)butanoic acid
CID 3128931
5-anilino-5-oxo-3-phenylpentanoic acid
CID 2812279
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945

Frequently Asked Questions

What is the IUPAC name of (2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate?
The IUPAC name of (2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate (CID 6944580) is (2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate.
What is the SMILES notation for (2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate?
The canonical SMILES for (2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate is C[C@@H](c1ccccc1)[C@@H](CC(=O)Nc1ccccc1)C(=O)[O-].
What is the InChIKey of (2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate?
The InChIKey is BDMDXLRFUPFFHD-XJKSGUPXSA-M. The full InChI is InChI=1S/C18H19NO3/c1-13(14-8-4-2-5-9-14)16(18(21)22)12-17(20)19-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,19,20)(H,21,22)/p-1/t13-,16+/m0/s1.
What are the key properties of (2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate?
(2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate has a molecular weight of 296.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-anilino-4-oxo-2-[(1R)-1-phenylethyl]butanoate is sourced from PubChem (CID 6944580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).