2-(dimethylamino)-3-methylbutanoic acid;hydrochloride

C7H16ClNO2 — CID 71299250

IUPAC2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
SMILESCC(C)C(C(=O)O)N(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)6(7(9)10)8(3)4;/h5-6H,1-4H3,(H,9,10);1H
InChIKeyNZYWZWKVXHNDDW-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.08
Rot. Bonds3

About 2-(dimethylamino)-3-methylbutanoic acid;hydrochloride

2-(dimethylamino)-3-methylbutanoic acid;hydrochloride (PubChem CID 71299250) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
PubChem CID71299250
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
SMILESCC(C)C(C(=O)O)N(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)6(7(9)10)8(3)4;/h5-6H,1-4H3,(H,9,10);1H
InChIKeyNZYWZWKVXHNDDW-UHFFFAOYSA-N
XLogP1.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(dimethylamino)butanoic acid
CID 23346831
(2R,3R)-2-(dimethylamino)-3-hydroxybutanoic acid
CID 131877082
(2R)-2-(dimethylamino)-3-methylbutanamide;hydrochloride
CID 89440606
2-(dimethylamino)-3-methyl-5-oxopentanoic acid
CID 175114199
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
fermium;3-methyl-2-[methyl(oxomethyl)amino]butanoic acid
CID 166481876
3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid
CID 43572314
2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid
CID 43569337
(2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid
CID 175796269
(2R)-2-[(2-chloroacetyl)-methylamino]-3-methylbutanoic acid
CID 15677270
2-(dimethylamino)-3-methyl-N-sulfanylbutanamide
CID 166115605
2-[bis(carboxymethyl)amino]-3-methylbutanoic acid
CID 23422375

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methylbutanoic acid;hydrochloride?
The IUPAC name of 2-(dimethylamino)-3-methylbutanoic acid;hydrochloride (CID 71299250) is 2-(dimethylamino)-3-methylbutanoic acid;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-3-methylbutanoic acid;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-3-methylbutanoic acid;hydrochloride is CC(C)C(C(=O)O)N(C)C.Cl.
What is the InChIKey of 2-(dimethylamino)-3-methylbutanoic acid;hydrochloride?
The InChIKey is NZYWZWKVXHNDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-5(2)6(7(9)10)8(3)4;/h5-6H,1-4H3,(H,9,10);1H.
What are the key properties of 2-(dimethylamino)-3-methylbutanoic acid;hydrochloride?
2-(dimethylamino)-3-methylbutanoic acid;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 71299250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).