(4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride

C6H15ClN2O2 — CID 118419337

IUPAC(4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride
SMILESCC(C)(CCN)NC(=O)O.Cl
InChIInChI=1S/C6H14N2O2.ClH/c1-6(2,3-4-7)8-5(9)10;/h8H,3-4,7H2,1-2H3,(H,9,10);1H
InChIKeyGJRYYPWCHOPXJI-UHFFFAOYSA-N
MW182.65 g/mol
LogP0.80
Rot. Bonds3

About (4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride

(4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride (PubChem CID 118419337) has the molecular formula C6H15ClN2O2 and a molecular weight of 182.65 g/mol. Its IUPAC name is (4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride.

Molecular Properties

Compound Name(4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride
PubChem CID118419337
Molecular FormulaC6H15ClN2O2
Molecular Weight182.65 g/mol
Exact Mass182.08
IUPAC Name(4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride
SMILESCC(C)(CCN)NC(=O)O.Cl
InChIInChI=1S/C6H14N2O2.ClH/c1-6(2,3-4-7)8-5(9)10;/h8H,3-4,7H2,1-2H3,(H,9,10);1H
InChIKeyGJRYYPWCHOPXJI-UHFFFAOYSA-N
XLogP0.80
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride?
The IUPAC name of (4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride (CID 118419337) is (4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride.
What is the SMILES notation for (4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride?
The canonical SMILES for (4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride is CC(C)(CCN)NC(=O)O.Cl.
What is the InChIKey of (4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride?
The InChIKey is GJRYYPWCHOPXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.ClH/c1-6(2,3-4-7)8-5(9)10;/h8H,3-4,7H2,1-2H3,(H,9,10);1H.
What are the key properties of (4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride?
(4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride is sourced from PubChem (CID 118419337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).