ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate

C14H17N3O3 — CID 61498215

IUPACethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C14H17N3O3/c1-3-20-14(19)8(2)17-13(18)11-7-16-12-6-9(15)4-5-10(11)12/h4-8,16H,3,15H2,1-2H3,(H,17,18)
InChIKeyLBDLEVMVDUMHMS-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.43
Rot. Bonds4

About ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate

ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate (PubChem CID 61498215) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate
PubChem CID61498215
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C14H17N3O3/c1-3-20-14(19)8(2)17-13(18)11-7-16-12-6-9(15)4-5-10(11)12/h4-8,16H,3,15H2,1-2H3,(H,17,18)
InChIKeyLBDLEVMVDUMHMS-UHFFFAOYSA-N
XLogP1.43
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate
CID 75976916
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
CID 107211217
6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 106208056
6-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-indole-3-carboxamide
CID 106387438
2-methylpentyl 6-amino-1H-indole-3-carboxylate
CID 103284577
5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide
CID 103106404
5-amino-N-octan-2-yl-1H-indole-3-carboxamide
CID 63116814
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
CID 115405243
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
2-methoxyethyl 6-amino-1H-indole-3-carboxylate
CID 61309847
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate (CID 61498215) is ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate?
The InChIKey is LBDLEVMVDUMHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-20-14(19)8(2)17-13(18)11-7-16-12-6-9(15)4-5-10(11)12/h4-8,16H,3,15H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate?
ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate has a molecular weight of 275.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 61498215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).