4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid

C13H23NO3 — CID 112753604

IUPAC4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC2CCCC2O)CC1
InChIInChI=1S/C13H23NO3/c15-12-3-1-2-10(12)8-14-11-6-4-9(5-7-11)13(16)17/h9-12,14-15H,1-8H2,(H,16,17)
InChIKeyRBRSAKSAGHQJHC-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.38
Rot. Bonds4

About 4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid

4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 112753604) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID112753604
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC2CCCC2O)CC1
InChIInChI=1S/C13H23NO3/c15-12-3-1-2-10(12)8-14-11-6-4-9(5-7-11)13(16)17/h9-12,14-15H,1-8H2,(H,16,17)
InChIKeyRBRSAKSAGHQJHC-UHFFFAOYSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[(cyclohexylamino)methyl]cyclopentan-1-ol
CID 15716295
2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol
CID 79741802
2-[(cycloheptylamino)methyl]cyclohexan-1-ol
CID 64928206
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673772
tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 103715573
2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol
CID 130951867
2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol
CID 64928655
2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol
CID 103982373
1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111469282
2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221350
4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79530082
4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532071

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid (CID 112753604) is 4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCC2CCCC2O)CC1.
What is the InChIKey of 4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is RBRSAKSAGHQJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-12-3-1-2-10(12)8-14-11-6-4-9(5-7-11)13(16)17/h9-12,14-15H,1-8H2,(H,16,17).
What are the key properties of 4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid?
4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 112753604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).