(2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid

C14H17NO5 — CID 61143217

IUPAC(2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
SMILESCCOC(=O)CCC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H17NO5/c1-2-20-12(17)9-8-11(16)15-13(14(18)19)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3,(H,15,16)(H,18,19)/t13-/m1/s1
InChIKeyRPFMFGLFVSJMQI-CYBMUJFWSA-N
MW279.29 g/mol
LogP1.27
Rot. Bonds7

About (2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid

(2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid (PubChem CID 61143217) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
PubChem CID61143217
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
SMILESCCOC(=O)CCC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H17NO5/c1-2-20-12(17)9-8-11(16)15-13(14(18)19)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3,(H,15,16)(H,18,19)/t13-/m1/s1
InChIKeyRPFMFGLFVSJMQI-CYBMUJFWSA-N
XLogP1.27
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic 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

ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
CID 62114406
(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 108808775
ethyl 4-(butanoylamino)-3-oxo-4-phenylbutanoate
CID 102588141
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-phenylacetic acid
CID 103862426
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
(2S)-2-(3-methoxypropanoylamino)-2-phenylacetic acid
CID 93310108
(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid
CID 119367976
2-(3-methylsulfanylpropanoylamino)-2-phenylacetic acid
CID 43183450
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid
CID 65292247
ethyl 4-acetamido-4-phenylbutanoate
CID 132511328

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid (CID 61143217) is (2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid is CCOC(=O)CCC(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid?
The InChIKey is RPFMFGLFVSJMQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17NO5/c1-2-20-12(17)9-8-11(16)15-13(14(18)19)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3,(H,15,16)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid?
(2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid has a molecular weight of 279.29 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61143217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).