2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid

C17H21ClN2O3 — CID 110497722

IUPAC2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1c(C)c2cc(Cl)ccc2n1CC)C(=O)O
InChIInChI=1S/C17H21ClN2O3/c1-4-6-13(17(22)23)19-16(21)15-10(3)12-9-11(18)7-8-14(12)20(15)5-2/h7-9,13H,4-6H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyMGUMISZDXIEECU-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.61
Rot. Bonds6

About 2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid

2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid (PubChem CID 110497722) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid
PubChem CID110497722
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1c(C)c2cc(Cl)ccc2n1CC)C(=O)O
InChIInChI=1S/C17H21ClN2O3/c1-4-6-13(17(22)23)19-16(21)15-10(3)12-9-11(18)7-8-14(12)20(15)5-2/h7-9,13H,4-6H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyMGUMISZDXIEECU-UHFFFAOYSA-N
XLogP3.61
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497523
5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide
CID 110497680
5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502070
2-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497828
5-amino-2-[(1-ethyl-3-methylindole-2-carbonyl)amino]-5-oxopentanoic acid
CID 110497420
(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
CID 114027907
5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide
CID 110497753
5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497686
5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110502203
5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110502197
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
CID 43630351

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid (CID 110497722) is 2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1c(C)c2cc(Cl)ccc2n1CC)C(=O)O.
What is the InChIKey of 2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid?
The InChIKey is MGUMISZDXIEECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-4-6-13(17(22)23)19-16(21)15-10(3)12-9-11(18)7-8-14(12)20(15)5-2/h7-9,13H,4-6H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid?
2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid has a molecular weight of 336.82 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 110497722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).