3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid

C13H24N2O3 — CID 122016782

IUPAC3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid
SMILESCCC(NC(=O)N(C)CCC(=O)O)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-3-11(10-6-4-5-7-10)14-13(18)15(2)9-8-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMXAKYYASCJMZCC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds6

About 3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid

3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid (PubChem CID 122016782) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid
PubChem CID122016782
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid
SMILESCCC(NC(=O)N(C)CCC(=O)O)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-3-11(10-6-4-5-7-10)14-13(18)15(2)9-8-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMXAKYYASCJMZCC-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-cyclopropyl-2-phenylethyl)carbamoyl-methylamino]propanoic acid
CID 122002942
3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 122002482
2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid
CID 62405987
N-(1-cyclohexylpropyl)acetamide
CID 45119320
N-(1-cyclobutylpropyl)acetamide
CID 127002620
3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
CID 61181867
2-chloro-N-(1-cyclohexylpropyl)acetamide
CID 62407197
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]-methylamino]propanoic acid
CID 106836785
2-(1-cyclohexylpropylcarbamoylamino)oxyacetic acid
CID 113498344
3-[(2,6-dimethylcyclohexyl)carbamoyl-methylamino]propanoic acid
CID 122004955
3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid
CID 103112618
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid (CID 122016782) is 3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid is CCC(NC(=O)N(C)CCC(=O)O)C1CCCC1.
What is the InChIKey of 3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid?
The InChIKey is MXAKYYASCJMZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-11(10-6-4-5-7-10)14-13(18)15(2)9-8-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid?
3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 122016782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).