2-amino-4,4-dimethylpentanoic acid;chloromethane

C8H18ClNO2 — CID 175588190

IUPAC2-amino-4,4-dimethylpentanoic acid;chloromethane
SMILESCC(C)(C)CC(N)C(=O)O.CCl
InChIInChI=1S/C7H15NO2.CH3Cl/c1-7(2,3)4-5(8)6(9)10;1-2/h5H,4,8H2,1-3H3,(H,9,10);1H3
InChIKeyYMZVOTXURFFATN-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.69
Rot. Bonds2

About 2-amino-4,4-dimethylpentanoic acid;chloromethane

2-amino-4,4-dimethylpentanoic acid;chloromethane (PubChem CID 175588190) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is 2-amino-4,4-dimethylpentanoic acid;chloromethane.

Molecular Properties

Compound Name2-amino-4,4-dimethylpentanoic acid;chloromethane
PubChem CID175588190
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name2-amino-4,4-dimethylpentanoic acid;chloromethane
SMILESCC(C)(C)CC(N)C(=O)O.CCl
InChIInChI=1S/C7H15NO2.CH3Cl/c1-7(2,3)4-5(8)6(9)10;1-2/h5H,4,8H2,1-3H3,(H,9,10);1H3
InChIKeyYMZVOTXURFFATN-UHFFFAOYSA-N
XLogP1.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid
CID 18635634
(2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid
CID 162641870
(2S)-2,4-diamino-4-methylpentanoic acid
CID 54315966
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
2-amino-4,4-difluoropentanoic acid;hydrochloride
CID 87665395
(2S)-2-amino-4,4-dimethylpentanoate
CID 149433644
(2R)-2-amino-3-(3,3-dimethylbutylsulfanyl)propanoic acid
CID 61147258
(2R)-2-amino-3,5,5-trimethylhexanoic acid
CID 175049210
(2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid
CID 129061039
2-amino-4,4,6,6,8-pentamethylnonanoic acid
CID 145315535
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid;chloromethane
CID 160898573

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-dimethylpentanoic acid;chloromethane?
The IUPAC name of 2-amino-4,4-dimethylpentanoic acid;chloromethane (CID 175588190) is 2-amino-4,4-dimethylpentanoic acid;chloromethane.
What is the SMILES notation for 2-amino-4,4-dimethylpentanoic acid;chloromethane?
The canonical SMILES for 2-amino-4,4-dimethylpentanoic acid;chloromethane is CC(C)(C)CC(N)C(=O)O.CCl.
What is the InChIKey of 2-amino-4,4-dimethylpentanoic acid;chloromethane?
The InChIKey is YMZVOTXURFFATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.CH3Cl/c1-7(2,3)4-5(8)6(9)10;1-2/h5H,4,8H2,1-3H3,(H,9,10);1H3.
What are the key properties of 2-amino-4,4-dimethylpentanoic acid;chloromethane?
2-amino-4,4-dimethylpentanoic acid;chloromethane has a molecular weight of 195.69 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-dimethylpentanoic acid;chloromethane is sourced from PubChem (CID 175588190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).