4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid

C14H25NO3 — CID 106498421

IUPAC4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCCCN(CC1(O)CCC(C(=O)O)CC1)C1CC1
InChIInChI=1S/C14H25NO3/c1-2-9-15(12-3-4-12)10-14(18)7-5-11(6-8-14)13(16)17/h11-12,18H,2-10H2,1H3,(H,16,17)
InChIKeyIKOVCXUZHPZAMW-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.87
Rot. Bonds6

About 4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 106498421) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID106498421
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCCCN(CC1(O)CCC(C(=O)O)CC1)C1CC1
InChIInChI=1S/C14H25NO3/c1-2-9-15(12-3-4-12)10-14(18)7-5-11(6-8-14)13(16)17/h11-12,18H,2-10H2,1H3,(H,16,17)
InChIKeyIKOVCXUZHPZAMW-UHFFFAOYSA-N
XLogP1.87
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[cyclobutyl(propyl)amino]methyl]cyclopentan-1-ol
CID 126846885
4-[[cyclopentyl(2-methylpropyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498797
4-hydroxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498735
4-hydroxy-4-[[1-hydroxypropan-2-yl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498851
4-[[bis(2-methylpropyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498497
4-hydroxy-4-[[methyl(piperidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498506
4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 115149052
4-(ethylsulfonylmethyl)-4-hydroxycyclohexane-1-carboxylic acid
CID 106498315
4-hydroxy-4-(propylaminomethyl)cyclohexane-1-carboxylic acid
CID 105468801
4-hydroxy-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498837
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498625
4-hydroxy-4-(propylsulfinylmethyl)cyclohexane-1-carboxylic acid
CID 106499926

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 106498421) is 4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid is CCCN(CC1(O)CCC(C(=O)O)CC1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is IKOVCXUZHPZAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-9-15(12-3-4-12)10-14(18)7-5-11(6-8-14)13(16)17/h11-12,18H,2-10H2,1H3,(H,16,17).
What are the key properties of 4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(propyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).