2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid

C13H24N2O3 — CID 119913375

IUPAC2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)CC(=O)NCC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(13(17)18)15(2)9-12(16)14-8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyRGHAGJYVGLOFBZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds6

About 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid

2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid (PubChem CID 119913375) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid
PubChem CID119913375
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)CC(=O)NCC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(13(17)18)15(2)9-12(16)14-8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyRGHAGJYVGLOFBZ-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913482
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701
2-[1-aminopropan-2-yl(methyl)amino]-N-(cyclobutylmethyl)acetamide;hydrochloride
CID 119924825
2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637591
N-(cyclohexylmethyl)-2-(dipropylamino)acetamide
CID 55437784
3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 119911752
2-[4-aminobutan-2-yl(methyl)amino]-N-(cyclopropylmethyl)acetamide
CID 63225580
N-(cyclobutylmethyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
CID 111110024
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 43216485
2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide
CID 55437170
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid (CID 119913375) is 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)CC(=O)NCC1CCCCC1.
What is the InChIKey of 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid?
The InChIKey is RGHAGJYVGLOFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(13(17)18)15(2)9-12(16)14-8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid?
2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid is sourced from PubChem (CID 119913375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).