methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride

C10H19ClN2O3 — CID 119789332

IUPACmethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)CNC(=O)C1(N)CC1.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-9(2,8(14)15-3)6-12-7(13)10(11)4-5-10;/h4-6,11H2,1-3H3,(H,12,13);1H
InChIKeyQMRUSQYLLNCMQB-UHFFFAOYSA-N
MW250.73 g/mol
LogP0.21
Rot. Bonds4

About methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride

methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride (PubChem CID 119789332) has the molecular formula C10H19ClN2O3 and a molecular weight of 250.73 g/mol. Its IUPAC name is methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride
PubChem CID119789332
Molecular FormulaC10H19ClN2O3
Molecular Weight250.73 g/mol
Exact Mass250.11
IUPAC Namemethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)CNC(=O)C1(N)CC1.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-9(2,8(14)15-3)6-12-7(13)10(11)4-5-10;/h4-6,11H2,1-3H3,(H,12,13);1H
InChIKeyQMRUSQYLLNCMQB-UHFFFAOYSA-N
XLogP0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427935
1-amino-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 134692608
1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride
CID 119809809
1-amino-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
CID 82723464
1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide
CID 66172259
methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate
CID 119326927
methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride
CID 146198125
1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830623
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate
CID 79623676
1-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
CID 119802066
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119629491
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate
CID 119789350

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride?
The IUPAC name of methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride (CID 119789332) is methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride is COC(=O)C(C)(C)CNC(=O)C1(N)CC1.Cl.
What is the InChIKey of methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride?
The InChIKey is QMRUSQYLLNCMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3.ClH/c1-9(2,8(14)15-3)6-12-7(13)10(11)4-5-10;/h4-6,11H2,1-3H3,(H,12,13);1H.
What are the key properties of methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride?
methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride is sourced from PubChem (CID 119789332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).