4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid

C14H25NO4 — CID 114118153

IUPAC4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOC1CCC(NCC2(O)CCC(C(=O)O)CC2)C1
InChIInChI=1S/C14H25NO4/c1-19-12-3-2-11(8-12)15-9-14(18)6-4-10(5-7-14)13(16)17/h10-12,15,18H,2-9H2,1H3,(H,16,17)
InChIKeyYIEOJNSUXCPJAM-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.15
Rot. Bonds5

About 4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid

4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 114118153) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID114118153
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOC1CCC(NCC2(O)CCC(C(=O)O)CC2)C1
InChIInChI=1S/C14H25NO4/c1-19-12-3-2-11(8-12)15-9-14(18)6-4-10(5-7-14)13(16)17/h10-12,15,18H,2-9H2,1H3,(H,16,17)
InChIKeyYIEOJNSUXCPJAM-UHFFFAOYSA-N
XLogP1.15
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499476
1-[[(4-methoxycyclohexyl)amino]methyl]cyclobutan-1-ol
CID 104530214
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499440
1-[(cyclopropylamino)methyl]-3-methoxycyclobutan-1-ol
CID 106824204
4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499567
4-hydroxy-4-[[(2-methylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106499521
4-hydroxy-4-[[(2-propan-2-ylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106499699
ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106498940
4-[[(2-ethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499307
4-hydroxy-4-(propylaminomethyl)cyclohexane-1-carboxylic acid
CID 105468801
[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
4-hydroxy-4-[(3-methylbutan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 106498919

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 114118153) is 4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid is COC1CCC(NCC2(O)CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YIEOJNSUXCPJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-19-12-3-2-11(8-12)15-9-14(18)6-4-10(5-7-14)13(16)17/h10-12,15,18H,2-9H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[[(3-methoxycyclopentyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114118153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).