1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid

C15H18N2O2 — CID 91316564

IUPAC1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCCC1c1c[nH]c2ccccc12
InChIInChI=1S/C15H18N2O2/c16-15(14(18)19)8-4-3-6-12(15)11-9-17-13-7-2-1-5-10(11)13/h1-2,5,7,9,12,17H,3-4,6,8,16H2,(H,18,19)
InChIKeyXIXSQCNOFHMMQL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.61
Rot. Bonds2

About 1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid

1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 91316564) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid
PubChem CID91316564
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCCC1c1c[nH]c2ccccc12
InChIInChI=1S/C15H18N2O2/c16-15(14(18)19)8-4-3-6-12(15)11-9-17-13-7-2-1-5-10(11)13/h1-2,5,7,9,12,17H,3-4,6,8,16H2,(H,18,19)
InChIKeyXIXSQCNOFHMMQL-UHFFFAOYSA-N
XLogP2.61
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 171740724
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 110907109
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
(3R,4S)-4-(1H-indol-3-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 15516005
2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide
CID 67283773
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 24599123
3-(oxan-2-yl)-1H-indole
CID 174577844
2-(1H-indol-3-yl)-1-(3-phenylpropanoylamino)cyclopropane-1-carboxylic acid
CID 163423454
cis-(1S,2S)-2-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 129368450
(2S,4S)-2-(1H-indol-3-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 7200617
(2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid
CID 67713185

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid (CID 91316564) is 1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid is NC1(C(=O)O)CCCCC1c1c[nH]c2ccccc12.
What is the InChIKey of 1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is XIXSQCNOFHMMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-15(14(18)19)8-4-3-6-12(15)11-9-17-13-7-2-1-5-10(11)13/h1-2,5,7,9,12,17H,3-4,6,8,16H2,(H,18,19).
What are the key properties of 1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid?
1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 91316564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).