ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate

C14H17N3O3 — CID 63118046

IUPACethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C14H17N3O3/c1-2-20-12(18)6-7-16-14(19)11-8-9-4-3-5-10(15)13(9)17-11/h3-5,8,17H,2,6-7,15H2,1H3,(H,16,19)
InChIKeyWTUHSYYAAFMBDY-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.43
Rot. Bonds5

About ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate

ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate (PubChem CID 63118046) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate
PubChem CID63118046
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C14H17N3O3/c1-2-20-12(18)6-7-16-14(19)11-8-9-4-3-5-10(15)13(9)17-11/h3-5,8,17H,2,6-7,15H2,1H3,(H,16,19)
InChIKeyWTUHSYYAAFMBDY-UHFFFAOYSA-N
XLogP1.43
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

7-amino-N-propyl-1H-indole-2-carboxamide
CID 62056831
7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide
CID 63117511
7-amino-N-(4-hydroxybutyl)-1H-indole-2-carboxamide
CID 106840111
ethyl 2-[(7-amino-1H-indole-2-carbonyl)-methylamino]acetate
CID 63118066
7-amino-N-(3-methylsulfonylpropyl)-1H-indole-2-carboxamide
CID 62058325
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide
CID 63117459
methyl 7-amino-1H-indole-2-carboxylate
CID 18550972
ethyl 3-[(3-phenyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]propanoate
CID 135071112
7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 63117429
7-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-2-carboxamide
CID 62058041
7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 65309948
7-amino-N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 62057891

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate (CID 63118046) is ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)c1cc2cccc(N)c2[nH]1.
What is the InChIKey of ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate?
The InChIKey is WTUHSYYAAFMBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-20-12(18)6-7-16-14(19)11-8-9-4-3-5-10(15)13(9)17-11/h3-5,8,17H,2,6-7,15H2,1H3,(H,16,19).
What are the key properties of ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate?
ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate has a molecular weight of 275.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(7-amino-1H-indole-2-carbonyl)amino]propanoate is sourced from PubChem (CID 63118046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).