(2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid

C15H19NO5 — CID 845245

IUPAC(2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid
SMILESCCOC(=O)c1ccc(NC(=O)CC[C@@H](C)C(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-3-21-15(20)11-5-7-12(8-6-11)16-13(17)9-4-10(2)14(18)19/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyFAWIGLUXZXBRNI-SNVBAGLBSA-N
MW293.32 g/mol
LogP2.30
Rot. Bonds7

About (2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid

(2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid (PubChem CID 845245) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid
PubChem CID845245
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid
SMILESCCOC(=O)c1ccc(NC(=O)CC[C@@H](C)C(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-3-21-15(20)11-5-7-12(8-6-11)16-13(17)9-4-10(2)14(18)19/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyFAWIGLUXZXBRNI-SNVBAGLBSA-N
XLogP2.30
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic 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-(4-methylpentanoylamino)benzoate
CID 43404103
(2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate
CID 6957061
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057
(3S)-5-(4-ethoxycarbonylanilino)-3-methyl-5-oxopentanoic acid
CID 753761
ethyl 4-(5-hydroxypentanoylamino)benzoate
CID 79199550
ethyl 4-(hexadecanoylamino)benzoate
CID 15925750
ethyl 4-[[3-oxo-3-(4-propan-2-ylanilino)propanoyl]amino]benzoate
CID 108954393
ethyl 4-(icosanoylamino)benzoate
CID 4522300
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
ethyl 4-[3-[acetyl(1-phenylethyl)amino]propanoylamino]benzoate
CID 113119044
ethyl 4-(3-methylsulfonylpropanoylamino)benzoate
CID 43423779
ethyl 4-[3-(propylamino)propanoylamino]benzoate
CID 109011620

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid?
The IUPAC name of (2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid (CID 845245) is (2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid is CCOC(=O)c1ccc(NC(=O)CC[C@@H](C)C(=O)O)cc1.
What is the InChIKey of (2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid?
The InChIKey is FAWIGLUXZXBRNI-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-21-15(20)11-5-7-12(8-6-11)16-13(17)9-4-10(2)14(18)19/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid?
(2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid has a molecular weight of 293.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid is sourced from PubChem (CID 845245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).