(2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid

C16H19NO4 — CID 101226222

IUPAC(2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid
SMILESCC[C@@H](C)[C@H](NC(=O)c1cccc2c1CCC2=O)C(=O)O
InChIInChI=1S/C16H19NO4/c1-3-9(2)14(16(20)21)17-15(19)12-6-4-5-11-10(12)7-8-13(11)18/h4-6,9,14H,3,7-8H2,1-2H3,(H,17,19)(H,20,21)/t9-,14+/m1/s1
InChIKeyIEEVIEIEZXHURO-OTYXRUKQSA-N
MW289.33 g/mol
LogP2.04
Rot. Bonds5

About (2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid

(2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid (PubChem CID 101226222) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid
PubChem CID101226222
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid
SMILESCC[C@@H](C)[C@H](NC(=O)c1cccc2c1CCC2=O)C(=O)O
InChIInChI=1S/C16H19NO4/c1-3-9(2)14(16(20)21)17-15(19)12-6-4-5-11-10(12)7-8-13(11)18/h4-6,9,14H,3,7-8H2,1-2H3,(H,17,19)(H,20,21)/t9-,14+/m1/s1
InChIKeyIEEVIEIEZXHURO-OTYXRUKQSA-N
XLogP2.04
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic 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

methyl (2S,3S)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoate
CID 91110567
3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4907234
3-methyl-2-[[3-methyl-2-[(9-oxofluorene-4-carbonyl)amino]butanoyl]amino]pentanoic acid
CID 4966783
(2S,3S)-3-methyl-2-[(2-methylsulfanylbenzoyl)amino]pentanoic acid
CID 61137536
N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 130014945
2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
CID 60858023
2-[(3-fluorobenzoyl)amino]-3-methylpentanoic acid
CID 16774745
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
(2S,3R)-3-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]pentanoic acid
CID 7618910
2-[(2-aminopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 82546724
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
(2S)-3-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 61173413

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid (CID 101226222) is (2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid is CC[C@@H](C)[C@H](NC(=O)c1cccc2c1CCC2=O)C(=O)O.
What is the InChIKey of (2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid?
The InChIKey is IEEVIEIEZXHURO-OTYXRUKQSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-9(2)14(16(20)21)17-15(19)12-6-4-5-11-10(12)7-8-13(11)18/h4-6,9,14H,3,7-8H2,1-2H3,(H,17,19)(H,20,21)/t9-,14+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid?
(2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 101226222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).