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

C14H17N3O4 — CID 61161325

IUPAC(2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1ccc2c(c1)CCN2)C(=O)O
InChIInChI=1S/C14H17N3O4/c15-12(18)4-3-11(14(20)21)17-13(19)9-1-2-10-8(7-9)5-6-16-10/h1-2,7,11,16H,3-6H2,(H2,15,18)(H,17,19)(H,20,21)/t11-/m0/s1
InChIKeyXDGGTKMWFCKFMM-NSHDSACASA-N
MW291.31 g/mol
LogP0.10
Rot. Bonds6

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

(2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid (PubChem CID 61161325) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is (2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid
PubChem CID61161325
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name(2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1ccc2c(c1)CCN2)C(=O)O
InChIInChI=1S/C14H17N3O4/c15-12(18)4-3-11(14(20)21)17-13(19)9-1-2-10-8(7-9)5-6-16-10/h1-2,7,11,16H,3-6H2,(H2,15,18)(H,17,19)(H,20,21)/t11-/m0/s1
InChIKeyXDGGTKMWFCKFMM-NSHDSACASA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-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

(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid
CID 103869735
(2R)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-4-methylsulfanylbutanoic acid
CID 104909365
4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 61244599
5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid
CID 43358654
(2S)-5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107728042
methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate
CID 60780386
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
(2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid
CID 63748597
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 61174014
5-amino-2-(1,3-benzodioxole-5-carbonylamino)-5-oxopentanoic acid
CID 43175930
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid
CID 43084994

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid (CID 61161325) is (2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)c1ccc2c(c1)CCN2)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid?
The InChIKey is XDGGTKMWFCKFMM-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O4/c15-12(18)4-3-11(14(20)21)17-13(19)9-1-2-10-8(7-9)5-6-16-10/h1-2,7,11,16H,3-6H2,(H2,15,18)(H,17,19)(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid?
(2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.10, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid is sourced from PubChem (CID 61161325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).