1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C12H22N2O3 — CID 61196038

IUPAC1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCN(C)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-3-9-14(2)11(17)13-12(10(15)16)7-5-4-6-8-12/h3-9H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyTWCXBWYRLVOURE-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.83
Rot. Bonds4

About 1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61196038) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61196038
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCN(C)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-3-9-14(2)11(17)13-12(10(15)16)7-5-4-6-8-12/h3-9H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyTWCXBWYRLVOURE-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197210
1-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55227355
1-[[ethyl(propyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61195465
1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55002384
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61443760
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61443714
1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 79379384
1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid
CID 81057648
1-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 113426147
1-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202704
1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162794
1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid
CID 106917097

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 61196038) is 1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CCCN(C)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is TWCXBWYRLVOURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-9-14(2)11(17)13-12(10(15)16)7-5-4-6-8-12/h3-9H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61196038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).