2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride

C14H27ClN2O3 — CID 119913482

IUPAC2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)CC(=O)NCCC1CCCCC1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-11(14(18)19)16(2)10-13(17)15-9-8-12-6-4-3-5-7-12;/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19);1H
InChIKeyUCAPWYVSAXONOG-UHFFFAOYSA-N
MW306.83 g/mol
LogP1.90
Rot. Bonds7

About 2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride

2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride (PubChem CID 119913482) has the molecular formula C14H27ClN2O3 and a molecular weight of 306.83 g/mol. Its IUPAC name is 2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
PubChem CID119913482
Molecular FormulaC14H27ClN2O3
Molecular Weight306.83 g/mol
Exact Mass306.17
IUPAC Name2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)CC(=O)NCCC1CCCCC1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-11(14(18)19)16(2)10-13(17)15-9-8-12-6-4-3-5-7-12;/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19);1H
InChIKeyUCAPWYVSAXONOG-UHFFFAOYSA-N
XLogP1.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.83
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913375
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701
2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913153
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742
2-(2-cyclohexylethylcarbamoyl)-3-methylbutanoic acid
CID 115186283
2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637591
4-(2-cyclohexylethylamino)-4-oxobutanoic acid
CID 60919559
3-(2-cyclohexylethylamino)-2-(methylamino)-3-oxopropanoic acid
CID 115189528
2-[methyl-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]amino]propanoic acid;hydrochloride
CID 119913641
2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 43216485
(2S)-2-amino-N-(2-cyclobutylethyl)propanamide
CID 103797223
N-(2-cyclohexylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195699

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The IUPAC name of 2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride (CID 119913482) is 2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride is CC(C(=O)O)N(C)CC(=O)NCCC1CCCCC1.Cl.
What is the InChIKey of 2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The InChIKey is UCAPWYVSAXONOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.ClH/c1-11(14(18)19)16(2)10-13(17)15-9-8-12-6-4-3-5-7-12;/h11-12H,3-10H2,1-2H3,(H,15,17)(H,18,19);1H.
What are the key properties of 2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride has a molecular weight of 306.83 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 119913482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).