2-[(2-cyclohexylacetyl)-methylamino]propanoic acid

C12H21NO3 — CID 62627808

IUPAC2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CC1CCCCC1
InChIInChI=1S/C12H21NO3/c1-9(12(15)16)13(2)11(14)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyHENPBNYNDZVJOZ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.89
Rot. Bonds4

About 2-[(2-cyclohexylacetyl)-methylamino]propanoic acid

2-[(2-cyclohexylacetyl)-methylamino]propanoic acid (PubChem CID 62627808) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[(2-cyclohexylacetyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
PubChem CID62627808
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CC1CCCCC1
InChIInChI=1S/C12H21NO3/c1-9(12(15)16)13(2)11(14)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyHENPBNYNDZVJOZ-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
CID 62625647
2-[methyl-[2-(thian-4-yl)acetyl]amino]propanoic acid
CID 83145675
2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid
CID 120520376
2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
CID 110837525
N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
CID 115737376
2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62637388
N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide
CID 55220083
2-[[2-(cyclopentylamino)acetyl]-methylamino]propanoic acid
CID 62637271
3-[[(1S)-1-carboxyethyl]-methylamino]-3-oxopropanoic acid
CID 121390047
2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
CID 60831184
2-[[cycloheptyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638480
3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid
CID 82326124

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylacetyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(2-cyclohexylacetyl)-methylamino]propanoic acid (CID 62627808) is 2-[(2-cyclohexylacetyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-cyclohexylacetyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(2-cyclohexylacetyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)CC1CCCCC1.
What is the InChIKey of 2-[(2-cyclohexylacetyl)-methylamino]propanoic acid?
The InChIKey is HENPBNYNDZVJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(12(15)16)13(2)11(14)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-cyclohexylacetyl)-methylamino]propanoic acid?
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylacetyl)-methylamino]propanoic acid is sourced from PubChem (CID 62627808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).