2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid

C14H24N2O3 — CID 65241040

IUPAC2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)NCC1CC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O3/c1-16(13(19)15-10-11-5-6-11)14(9-12(17)18)7-3-2-4-8-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyXBJSNGKETRJIKN-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.22
Rot. Bonds5

About 2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid

2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid (PubChem CID 65241040) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
PubChem CID65241040
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)NCC1CC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O3/c1-16(13(19)15-10-11-5-6-11)14(9-12(17)18)7-3-2-4-8-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyXBJSNGKETRJIKN-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-amino-3-oxopropyl)carbamoyl-methylamino]cyclohexyl]acetic acid
CID 65240416
2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65242776
2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid
CID 65240806
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid
CID 65240691
2-[1-[[cyclopropyl(ethyl)carbamoyl]-methylamino]cyclohexyl]acetic acid
CID 65240704
2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid
CID 81368303
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65240709

Frequently Asked Questions

What is the IUPAC name of 2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid (CID 65241040) is 2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid is CN(C(=O)NCC1CC1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid?
The InChIKey is XBJSNGKETRJIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-16(13(19)15-10-11-5-6-11)14(9-12(17)18)7-3-2-4-8-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid?
2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65241040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).