2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid

C13H24N2O3 — CID 62637388

IUPAC2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(12(16)17)15(3)13(18)14(2)9-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyWDBPQVPIDZMMTJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.02
Rot. Bonds4

About 2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid

2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid (PubChem CID 62637388) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
PubChem CID62637388
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(12(16)17)15(3)13(18)14(2)9-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyWDBPQVPIDZMMTJ-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

2-[[cyclopropylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638309
2-[[cycloheptyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638480
2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55096980
3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 63655343
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808
2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid
CID 63859352
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498428
2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
CID 62625647
2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid
CID 55096784
2-[[cyclopropylmethyl(ethyl)carbamoyl]-methylamino]propanoic acid
CID 63956264
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid (CID 62637388) is 2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)N(C)CC1CCCCC1.
What is the InChIKey of 2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid?
The InChIKey is WDBPQVPIDZMMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(12(16)17)15(3)13(18)14(2)9-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid?
2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]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 2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid is sourced from PubChem (CID 62637388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).