methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride

C11H21ClN2O3 — CID 119291127

IUPACmethyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride
SMILESCOC(=O)CCNC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-16-9(14)5-8-13-10(15)11(12)6-3-2-4-7-11;/h2-8,12H2,1H3,(H,13,15);1H
InChIKeyXWCNFQITFYKCIB-UHFFFAOYSA-N
MW264.75 g/mol
LogP0.75
Rot. Bonds4

About methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride

methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride (PubChem CID 119291127) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride
PubChem CID119291127
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Namemethyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride
SMILESCOC(=O)CCNC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-16-9(14)5-8-13-10(15)11(12)6-3-2-4-7-11;/h2-8,12H2,1H3,(H,13,15);1H
InChIKeyXWCNFQITFYKCIB-UHFFFAOYSA-N
XLogP0.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(1-aminocyclobutanecarbonyl)amino]propanoate
CID 81169398
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride
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1-amino-N-(3-amino-3-oxopropyl)cyclohexane-1-carboxamide
CID 43553625
methyl 7-[(1-aminocyclopropanecarbonyl)amino]heptanoate
CID 119701294
methyl 3-[(1-cyanocyclohexanecarbonyl)amino]propanoate
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CID 119301742
N-(3-acetamidopropyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119290745
1-amino-N-(3-oxo-3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 115733771
1-amino-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide;hydrochloride
CID 119279539
1-amino-N-[3-(cyclohexylamino)-3-oxopropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119299492
1-amino-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 11194684
1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
CID 162369758

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride?
The IUPAC name of methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride (CID 119291127) is methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride is COC(=O)CCNC(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride?
The InChIKey is XWCNFQITFYKCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.ClH/c1-16-9(14)5-8-13-10(15)11(12)6-3-2-4-7-11;/h2-8,12H2,1H3,(H,13,15);1H.
What are the key properties of methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride?
methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride is sourced from PubChem (CID 119291127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).