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

C14H15N3O4 — CID 63748597

IUPAC(2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)O
InChIInChI=1S/C14H15N3O4/c15-12(18)4-3-11(14(20)21)17-13(19)9-1-2-10-8(7-9)5-6-16-10/h1-2,5-7,11,16H,3-4H2,(H2,15,18)(H,17,19)(H,20,21)/t11-/m0/s1
InChIKeyUYNAQQOYBDZDEJ-NSHDSACASA-N
MW289.29 g/mol
LogP0.62
Rot. Bonds6

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

(2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid (PubChem CID 63748597) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid
PubChem CID63748597
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)O
InChIInChI=1S/C14H15N3O4/c15-12(18)4-3-11(14(20)21)17-13(19)9-1-2-10-8(7-9)5-6-16-10/h1-2,5-7,11,16H,3-4H2,(H2,15,18)(H,17,19)(H,20,21)/t11-/m0/s1
InChIKeyUYNAQQOYBDZDEJ-NSHDSACASA-N
XLogP0.62
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-5-amino-2-(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

(2R)-5-amino-2-[3-(1H-indol-5-yl)propanoylamino]-5-oxopentanoic acid
CID 166310395
(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 80750330
(2S)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 55230988
(2S)-5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107728042
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129
N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
CID 103896359
5-amino-2-(1,3-benzodioxole-5-carbonylamino)-5-oxopentanoic acid
CID 43175930
(2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid
CID 61161325
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid
CID 43084994
(2S,3R)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381849
methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate
CID 71918006

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid (CID 63748597) is (2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid?
The InChIKey is UYNAQQOYBDZDEJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O4/c15-12(18)4-3-11(14(20)21)17-13(19)9-1-2-10-8(7-9)5-6-16-10/h1-2,5-7,11,16H,3-4H2,(H2,15,18)(H,17,19)(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid?
(2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid has a molecular weight of 289.29 g/mol, XLogP of 0.62, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid is sourced from PubChem (CID 63748597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).