3-amino-4,4-dimethylpentanoic acid;hydrochloride

C7H16ClNO2 — CID 89306426

IUPAC3-amino-4,4-dimethylpentanoic acid;hydrochloride
SMILESCC(C)(C)C(N)CC(=O)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-7(2,3)5(8)4-6(9)10;/h5H,4,8H2,1-3H3,(H,9,10);1H
InChIKeyIQHXDWJPMNNCLU-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.26
Rot. Bonds2

About 3-amino-4,4-dimethylpentanoic acid;hydrochloride

3-amino-4,4-dimethylpentanoic acid;hydrochloride (PubChem CID 89306426) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 3-amino-4,4-dimethylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-4,4-dimethylpentanoic acid;hydrochloride
PubChem CID89306426
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name3-amino-4,4-dimethylpentanoic acid;hydrochloride
SMILESCC(C)(C)C(N)CC(=O)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-7(2,3)5(8)4-6(9)10;/h5H,4,8H2,1-3H3,(H,9,10);1H
InChIKeyIQHXDWJPMNNCLU-UHFFFAOYSA-N
XLogP1.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4,4-dimethylhexanoic acid
CID 131229522
(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid
CID 113353116
3-amino-5-fluoro-4,4-bis(fluoromethyl)pentanoic acid;hydrochloride
CID 174838740
4-amino-3,5,5-trimethylhexanoic acid
CID 116938121
3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 165482152
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
3-amino-4,4-dimethyl-1-phenylpentan-1-one
CID 116608460
(3S)-3-amino-4,4,5,5,5-pentafluoropentanoic acid
CID 135081165
3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid
CID 106109020
(3R)-4,4-dimethyl-3-(methylamino)pentanoic acid;hydrochloride
CID 170900105
sodium;4-amino-3,3-bis(carboxymethyl)hexanedioic acid;hydride
CID 173286235
3-bromo-4,4-dimethylpentanoic acid
CID 22471981

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethylpentanoic acid;hydrochloride?
The IUPAC name of 3-amino-4,4-dimethylpentanoic acid;hydrochloride (CID 89306426) is 3-amino-4,4-dimethylpentanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-4,4-dimethylpentanoic acid;hydrochloride?
The canonical SMILES for 3-amino-4,4-dimethylpentanoic acid;hydrochloride is CC(C)(C)C(N)CC(=O)O.Cl.
What is the InChIKey of 3-amino-4,4-dimethylpentanoic acid;hydrochloride?
The InChIKey is IQHXDWJPMNNCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-7(2,3)5(8)4-6(9)10;/h5H,4,8H2,1-3H3,(H,9,10);1H.
What are the key properties of 3-amino-4,4-dimethylpentanoic acid;hydrochloride?
3-amino-4,4-dimethylpentanoic acid;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethylpentanoic acid;hydrochloride is sourced from PubChem (CID 89306426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).