2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid

C14H25NO3 — CID 120520376

IUPAC2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CC1CCC(C)(C)CC1
InChIInChI=1S/C14H25NO3/c1-10(13(17)18)15(4)12(16)9-11-5-7-14(2,3)8-6-11/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyXMUPDKRNBAMDHP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.52
Rot. Bonds4

About 2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid

2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid (PubChem CID 120520376) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid
PubChem CID120520376
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CC1CCC(C)(C)CC1
InChIInChI=1S/C14H25NO3/c1-10(13(17)18)15(4)12(16)9-11-5-7-14(2,3)8-6-11/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyXMUPDKRNBAMDHP-UHFFFAOYSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
CID 62625647
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808
2-[methyl-[2-(thian-4-yl)acetyl]amino]propanoic acid
CID 83145675
2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
CID 110837525
3-[[2-(4,4-dimethylcyclohexyl)acetyl]amino]butanoic acid
CID 120522699
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid
CID 55155372
3-methyl-2-[methyl-[2-(oxan-4-yl)acetyl]amino]butanoic acid
CID 110837449
2-[3-aminobutanoyl(methyl)amino]propanoic acid
CID 62639644
2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid
CID 64678457
3-[[(1S)-1-carboxyethyl]-methylamino]-3-oxopropanoic acid
CID 121390047
2-[[2-(cyclopentylamino)acetyl]-methylamino]propanoic acid
CID 62637271
2-[[cyclopropylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62638309

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid (CID 120520376) is 2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)CC1CCC(C)(C)CC1.
What is the InChIKey of 2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid?
The InChIKey is XMUPDKRNBAMDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(13(17)18)15(4)12(16)9-11-5-7-14(2,3)8-6-11/h10-11H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid?
2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 120520376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).