(2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid

C14H17N3O4 — CID 107830369

IUPAC(2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)C1CNc2ccccc21)C(=O)O
InChIInChI=1S/C14H17N3O4/c15-12(18)6-5-11(14(20)21)17-13(19)9-7-16-10-4-2-1-3-8(9)10/h1-4,9,11,16H,5-7H2,(H2,15,18)(H,17,19)(H,20,21)/t9?,11-/m1/s1
InChIKeyHGLPBLINBXJHQY-HCCKASOXSA-N
MW291.31 g/mol
LogP0.03
Rot. Bonds6

About (2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid (PubChem CID 107830369) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is (2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid
PubChem CID107830369
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name(2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)C1CNc2ccccc21)C(=O)O
InChIInChI=1S/C14H17N3O4/c15-12(18)6-5-11(14(20)21)17-13(19)9-7-16-10-4-2-1-3-8(9)10/h1-4,9,11,16H,5-7H2,(H2,15,18)(H,17,19)(H,20,21)/t9?,11-/m1/s1
InChIKeyHGLPBLINBXJHQY-HCCKASOXSA-N
XLogP0.03
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid
CID 80567354
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
(2R)-4-methylsulfanyl-2-(1,2,3,4-tetrahydroquinoline-4-carbonylamino)butanoic acid
CID 104909225
N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 113376258
N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106025969
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 114417212
N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80564594
5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 53390036
(2S)-4-amino-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid
CID 103870152
(2S)-5-amino-2-[[(2R,4S)-4-benzylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
CID 153287183

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid (CID 107830369) is (2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)C1CNc2ccccc21)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid?
The InChIKey is HGLPBLINBXJHQY-HCCKASOXSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-12(18)6-5-11(14(20)21)17-13(19)9-7-16-10-4-2-1-3-8(9)10/h1-4,9,11,16H,5-7H2,(H2,15,18)(H,17,19)(H,20,21)/t9?,11-/m1/s1.
What are the key properties of (2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107830369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).