3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid

C15H17ClN2O2 — CID 166288620

IUPAC3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid
SMILESO=C(O)CCN(Cc1cc2cc(Cl)ccc2[nH]1)C1CC1
InChIInChI=1S/C15H17ClN2O2/c16-11-1-4-14-10(7-11)8-12(17-14)9-18(13-2-3-13)6-5-15(19)20/h1,4,7-8,13,17H,2-3,5-6,9H2,(H,19,20)
InChIKeyYCIXYJQIWJDTRY-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.26
Rot. Bonds6

About 3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid

3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid (PubChem CID 166288620) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid
PubChem CID166288620
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid
SMILESO=C(O)CCN(Cc1cc2cc(Cl)ccc2[nH]1)C1CC1
InChIInChI=1S/C15H17ClN2O2/c16-11-1-4-14-10(7-11)8-12(17-14)9-18(13-2-3-13)6-5-15(19)20/h1,4,7-8,13,17H,2-3,5-6,9H2,(H,19,20)
InChIKeyYCIXYJQIWJDTRY-UHFFFAOYSA-N
XLogP3.26
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
CID 54925840
3-[(5-chloro-2-nitrophenyl)methyl-cyclopropylamino]propanoic acid
CID 79580758
3-[(3-chloro-5-fluorophenyl)methyl-cyclopropylamino]propanoic acid
CID 114454911
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
(2R)-3-(5-chloro-1H-indol-2-yl)-2-methylpropanoic acid
CID 96820552
3-[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]propanoic acid
CID 60839372
5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 33057879
3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 34205276
2-[(2-bromo-5-chlorophenyl)methyl-cyclopropylamino]acetic acid
CID 66156694
3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60838351
2-(bromomethyl)-5-chloro-1H-indole
CID 119086448

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid (CID 166288620) is 3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid is O=C(O)CCN(Cc1cc2cc(Cl)ccc2[nH]1)C1CC1.
What is the InChIKey of 3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid?
The InChIKey is YCIXYJQIWJDTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-11-1-4-14-10(7-11)8-12(17-14)9-18(13-2-3-13)6-5-15(19)20/h1,4,7-8,13,17H,2-3,5-6,9H2,(H,19,20).
What are the key properties of 3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid?
3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid has a molecular weight of 292.77 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1H-indol-2-yl)methyl-cyclopropylamino]propanoic acid is sourced from PubChem (CID 166288620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).