methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate

C14H17N3O3 — CID 63116714

IUPACmethyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H17N3O3/c1-3-17(8-13(18)20-2)14(19)11-7-16-12-5-4-9(15)6-10(11)12/h4-7,16H,3,8,15H2,1-2H3
InChIKeyKKSRIYYSGAIZJO-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.39
Rot. Bonds4

About methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate

methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate (PubChem CID 63116714) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate
PubChem CID63116714
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H17N3O3/c1-3-17(8-13(18)20-2)14(19)11-7-16-12-5-4-9(15)6-10(11)12/h4-7,16H,3,8,15H2,1-2H3
InChIKeyKKSRIYYSGAIZJO-UHFFFAOYSA-N
XLogP1.39
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate 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

5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide
CID 79383870
5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
CID 63116764
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide
CID 63116873
6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 79471867
ethyl 4-[(5-amino-1H-indole-3-carbonyl)amino]butanoate
CID 64581541
methyl 2-[(5-amino-2-bromobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62956423
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide
CID 60659810
5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide
CID 103106404
methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952978

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate (CID 63116714) is methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate is CCN(CC(=O)OC)C(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate?
The InChIKey is KKSRIYYSGAIZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-17(8-13(18)20-2)14(19)11-7-16-12-5-4-9(15)6-10(11)12/h4-7,16H,3,8,15H2,1-2H3.
What are the key properties of methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate?
methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate has a molecular weight of 275.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate is sourced from PubChem (CID 63116714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).