3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid

C13H24N2O3 — CID 63655343

IUPAC3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)N(C)CC1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-10(12(16)17)8-14(2)13(18)15(3)9-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyGWIYIAGMWVRDAZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.88
Rot. Bonds5

About 3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid

3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 63655343) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
PubChem CID63655343
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)N(C)CC1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-10(12(16)17)8-14(2)13(18)15(3)9-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyGWIYIAGMWVRDAZ-UHFFFAOYSA-N
XLogP1.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 107400167
3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62861866
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62637388
4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498428
3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007383
3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 81362050
2-[[cyclopropylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638309
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
3-[(2,2-dicyclopropylacetyl)-methylamino]-2-methylpropanoic acid
CID 120524386
2-[[cyclobutylmethyl(methyl)carbamoyl]-cyclopentylamino]acetic acid
CID 55125772
4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 63655749

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid (CID 63655343) is 3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)N(C)CC1CCCC1)C(=O)O.
What is the InChIKey of 3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is GWIYIAGMWVRDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(12(16)17)8-14(2)13(18)15(3)9-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 63655343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).