(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid

C15H18N2O4 — CID 102710687

IUPAC(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)C2)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-8(2)5-12(15(20)21)17-14(19)10-4-3-9-7-13(18)16-11(9)6-10/h3-4,6,8,12H,5,7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyIXSYVDPQCDPHAN-GFCCVEGCSA-N
MW290.32 g/mol
LogP1.41
Rot. Bonds5

About (2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid

(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid (PubChem CID 102710687) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
PubChem CID102710687
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)C2)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-8(2)5-12(15(20)21)17-14(19)10-4-3-9-7-13(18)16-11(9)6-10/h3-4,6,8,12H,5,7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyIXSYVDPQCDPHAN-GFCCVEGCSA-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
(2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710671
(2S)-4-methyl-2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pentanoic acid
CID 119361799
3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710806
N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711809
(2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 78975834
4-methyl-2-[(4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carbonyl)amino]pentanoic acid
CID 23855028
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
N-(2-amino-1-cyclopropylethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711574
2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710796
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid (CID 102710687) is (2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)C2)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid?
The InChIKey is IXSYVDPQCDPHAN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-8(2)5-12(15(20)21)17-14(19)10-4-3-9-7-13(18)16-11(9)6-10/h3-4,6,8,12H,5,7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid?
(2R)-4-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 (2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 102710687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).