3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid

C14H15ClN2O4 — CID 20627086

IUPAC3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid
SMILESCCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(O)C(=O)O
InChIInChI=1S/C14H15ClN2O4/c1-2-9(12(18)14(20)21)17-13(19)11-6-7-5-8(15)3-4-10(7)16-11/h3-6,9,12,16,18H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyNEWUFVUBZHDILO-UHFFFAOYSA-N
MW310.74 g/mol
LogP1.78
Rot. Bonds5

About 3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid

3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid (PubChem CID 20627086) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid.

Molecular Properties

Compound Name3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid
PubChem CID20627086
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid
SMILESCCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(O)C(=O)O
InChIInChI=1S/C14H15ClN2O4/c1-2-9(12(18)14(20)21)17-13(19)11-6-7-5-8(15)3-4-10(7)16-11/h3-6,9,12,16,18H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyNEWUFVUBZHDILO-UHFFFAOYSA-N
XLogP1.78
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoic acid
CID 10809326
methyl (2R,3S)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate
CID 10524239
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate
CID 141106091
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-chloro-N-[(2S,3R)-4-[2-(dimethylamino)ethyl-methylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 91381965
5-chloro-N-[(2S,3R)-4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide;ethanol;molecular hydrogen
CID 161433311
5-chloro-N-[(3R)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 56993696
5-chloro-N-[(2S,3R)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-1H-indole-2-carboxamide
CID 130405471
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
CID 10448389

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid?
The IUPAC name of 3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid (CID 20627086) is 3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid.
What is the SMILES notation for 3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid?
The canonical SMILES for 3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid is CCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(O)C(=O)O.
What is the InChIKey of 3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid?
The InChIKey is NEWUFVUBZHDILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-2-9(12(18)14(20)21)17-13(19)11-6-7-5-8(15)3-4-10(7)16-11/h3-6,9,12,16,18H,2H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid?
3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid has a molecular weight of 310.74 g/mol, XLogP of 1.78, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid is sourced from PubChem (CID 20627086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).