4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid

C15H27NO3 — CID 106499567

IUPAC4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCC1(C)CCCC1NCC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-14(2)7-3-4-12(14)16-10-15(19)8-5-11(6-9-15)13(17)18/h11-12,16,19H,3-10H2,1-2H3,(H,17,18)
InChIKeyXMLNBIHBMLEVDY-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.16
Rot. Bonds4

About 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 106499567) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID106499567
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCC1(C)CCCC1NCC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-14(2)7-3-4-12(14)16-10-15(19)8-5-11(6-9-15)13(17)18/h11-12,16,19H,3-10H2,1-2H3,(H,17,18)
InChIKeyXMLNBIHBMLEVDY-UHFFFAOYSA-N
XLogP2.16
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2,2-dimethylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 79856985
4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79852877
4-hydroxy-4-[[(2-methylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106499521
2-[(2,2-dimethylcyclopentyl)amino]acetic acid
CID 79865200
4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499476
4-[[(2-ethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499307
(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
CID 97108283
4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499674
4-hydroxy-4-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106499699
4-hydroxy-4-(propylaminomethyl)cyclohexane-1-carboxylic acid
CID 105468801
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499440
4-hydroxy-4-[(3-methylbutan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 106498919

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 106499567) is 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid is CC1(C)CCCC1NCC1(O)CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is XMLNBIHBMLEVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2)7-3-4-12(14)16-10-15(19)8-5-11(6-9-15)13(17)18/h11-12,16,19H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106499567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).