4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid

C19H33NO3 — CID 13044042

IUPAC4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CC1CCC(C(=O)NCC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C19H33NO3/c1-13(2)11-14-3-7-16(8-4-14)18(21)20-12-15-5-9-17(10-6-15)19(22)23/h13-17H,3-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyRHOCMJFKOGDNPV-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.85
Rot. Bonds6

About 4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 13044042) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID13044042
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CC1CCC(C(=O)NCC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C19H33NO3/c1-13(2)11-14-3-7-16(8-4-14)18(21)20-12-15-5-9-17(10-6-15)19(22)23/h13-17H,3-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyRHOCMJFKOGDNPV-UHFFFAOYSA-N
XLogP3.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 13044042) is 4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid is CC(C)CC1CCC(C(=O)NCC2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is RHOCMJFKOGDNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-13(2)11-14-3-7-16(8-4-14)18(21)20-12-15-5-9-17(10-6-15)19(22)23/h13-17H,3-12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 323.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(2-methylpropyl)cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 13044042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).