2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid

C13H24N2O3 — CID 55096784

IUPAC2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid
SMILESCCN(C(=O)N(C)C(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-4-15(11-8-6-5-7-9-11)13(18)14(3)10(2)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyOTSSYUCOZXXSBR-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.17
Rot. Bonds4

About 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid

2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid (PubChem CID 55096784) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid
PubChem CID55096784
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid
SMILESCCN(C(=O)N(C)C(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-4-15(11-8-6-5-7-9-11)13(18)14(3)10(2)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyOTSSYUCOZXXSBR-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cycloheptyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638480
2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62637388
2-[cyclohexyl(methyl)amino]propanoic acid
CID 22906743
2-[[cyclopropylmethyl(ethyl)carbamoyl]-methylamino]propanoic acid
CID 63956264
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
(2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride
CID 69352302
2-bromo-N-cyclohexyl-N-ethylpropanamide
CID 82110731
(2S)-2-[amino(cyclohexyl)amino]propanoic acid
CID 54156579
2-[[cyclopropylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638309
2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
CID 62625647
2-[cyclopentyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 61202141

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid (CID 55096784) is 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid is CCN(C(=O)N(C)C(C)C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid?
The InChIKey is OTSSYUCOZXXSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-15(11-8-6-5-7-9-11)13(18)14(3)10(2)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid?
2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(ethyl)carbamoyl]-methylamino]propanoic acid is sourced from PubChem (CID 55096784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).