3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid

C13H24N2O3 — CID 61439567

IUPAC3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid
SMILESCC1CCC(N(C)C(=O)N(C)CCC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-10-4-6-11(7-5-10)15(3)13(18)14(2)9-8-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyQGLQWUZPLQOQHS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.02
Rot. Bonds4

About 3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid

3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid (PubChem CID 61439567) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid
PubChem CID61439567
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid
SMILESCC1CCC(N(C)C(=O)N(C)CCC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-10-4-6-11(7-5-10)15(3)13(18)14(2)9-8-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyQGLQWUZPLQOQHS-UHFFFAOYSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[methyl-(4-methylcyclohexyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61439474
3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61010939
3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid
CID 61198345
1-cyclopropyl-3-ethyl-1,3-dimethylurea
CID 116654142
2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid
CID 79272097
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461
3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid
CID 61194347
3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid
CID 61194349
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide
CID 18073230
1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea
CID 143486621
3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
CID 61429269

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid (CID 61439567) is 3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid is CC1CCC(N(C)C(=O)N(C)CCC(=O)O)CC1.
What is the InChIKey of 3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid?
The InChIKey is QGLQWUZPLQOQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-4-6-11(7-5-10)15(3)13(18)14(2)9-8-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid?
3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61439567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).