dimethylcarbamoyl(methyl)carbamic acid;hydrochloride

C5H11ClN2O3 — CID 88818109

IUPACdimethylcarbamoyl(methyl)carbamic acid;hydrochloride
SMILESCN(C)C(=O)N(C)C(=O)O.Cl
InChIInChI=1S/C5H10N2O3.ClH/c1-6(2)4(8)7(3)5(9)10;/h1-3H3,(H,9,10);1H
InChIKeyQQQAJNIVJJNQHH-UHFFFAOYSA-N
MW182.61 g/mol
LogP0.70
Rot. Bonds

About dimethylcarbamoyl(methyl)carbamic acid;hydrochloride

dimethylcarbamoyl(methyl)carbamic acid;hydrochloride (PubChem CID 88818109) has the molecular formula C5H11ClN2O3 and a molecular weight of 182.61 g/mol. Its IUPAC name is dimethylcarbamoyl(methyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Namedimethylcarbamoyl(methyl)carbamic acid;hydrochloride
PubChem CID88818109
Molecular FormulaC5H11ClN2O3
Molecular Weight182.61 g/mol
Exact Mass182.05
IUPAC Namedimethylcarbamoyl(methyl)carbamic acid;hydrochloride
SMILESCN(C)C(=O)N(C)C(=O)O.Cl
InChIInChI=1S/C5H10N2O3.ClH/c1-6(2)4(8)7(3)5(9)10;/h1-3H3,(H,9,10);1H
InChIKeyQQQAJNIVJJNQHH-UHFFFAOYSA-N
XLogP0.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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acetic acid;ethane
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acetic acid;ethane
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acetic acid;ethane
CID 173144363
N-(dimethylcarbamoyl)-N-methylbutanamide
CID 178179553
1,1-diamino-3,3-dimethylurea
CID 154021119
1,1,3-trimethyl-3-sulfanylurea
CID 88793669
1-(dimethylamino)-1,3,3-trimethylurea
CID 54151962
2-[dimethylcarbamoyl(methyl)amino]acetic acid
CID 43135260

Frequently Asked Questions

What is the IUPAC name of dimethylcarbamoyl(methyl)carbamic acid;hydrochloride?
The IUPAC name of dimethylcarbamoyl(methyl)carbamic acid;hydrochloride (CID 88818109) is dimethylcarbamoyl(methyl)carbamic acid;hydrochloride.
What is the SMILES notation for dimethylcarbamoyl(methyl)carbamic acid;hydrochloride?
The canonical SMILES for dimethylcarbamoyl(methyl)carbamic acid;hydrochloride is CN(C)C(=O)N(C)C(=O)O.Cl.
What is the InChIKey of dimethylcarbamoyl(methyl)carbamic acid;hydrochloride?
The InChIKey is QQQAJNIVJJNQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.ClH/c1-6(2)4(8)7(3)5(9)10;/h1-3H3,(H,9,10);1H.
What are the key properties of dimethylcarbamoyl(methyl)carbamic acid;hydrochloride?
dimethylcarbamoyl(methyl)carbamic acid;hydrochloride has a molecular weight of 182.61 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamoyl(methyl)carbamic acid;hydrochloride is sourced from PubChem (CID 88818109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).