(2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid

C15H18N2O4 — CID 102710671

IUPAC(2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)c1ccc2c(c1)NC(=O)C2)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-3-8(2)13(15(20)21)17-14(19)10-5-4-9-7-12(18)16-11(9)6-10/h4-6,8,13H,3,7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t8?,13-/m0/s1
InChIKeyKLPVIZNMVUYKAR-RLROJCQXSA-N
MW290.32 g/mol
LogP1.41
Rot. Bonds5

About (2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid

(2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid (PubChem CID 102710671) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
PubChem CID102710671
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)c1ccc2c(c1)NC(=O)C2)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-3-8(2)13(15(20)21)17-14(19)10-5-4-9-7-12(18)16-11(9)6-10/h4-6,8,13H,3,7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t8?,13-/m0/s1
InChIKeyKLPVIZNMVUYKAR-RLROJCQXSA-N
XLogP1.41
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710593
(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710687
N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711809
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 61174014
3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710806
(2S,3S)-3-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 103850155
(2S,3S)-3-methyl-2-[(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]pentanoic acid
CID 119194206
(2S,3S)-2-[(3,4-dihydroxybenzoyl)amino]-3-methylpentanoic acid
CID 107728036
2-oxo-N-(1-thiophen-2-ylethyl)-1,3-dihydroindole-6-carboxamide
CID 102711764
2-oxo-N-(1-pyridin-4-ylethyl)-1,3-dihydroindole-6-carboxamide
CID 102711761
3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 103152957

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid (CID 102710671) is (2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid is CCC(C)[C@H](NC(=O)c1ccc2c(c1)NC(=O)C2)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid?
The InChIKey is KLPVIZNMVUYKAR-RLROJCQXSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-8(2)13(15(20)21)17-14(19)10-5-4-9-7-12(18)16-11(9)6-10/h4-6,8,13H,3,7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t8?,13-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid?
(2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 102710671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).