2-(aminomethyl)-2,4-dimethylpentanoic acid

C8H17NO2 — CID 106487145

IUPAC2-(aminomethyl)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(CN)C(=O)O
InChIInChI=1S/C8H17NO2/c1-6(2)4-8(3,5-9)7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyGEWGLJQHAPMTQQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.08
Rot. Bonds4

About 2-(aminomethyl)-2,4-dimethylpentanoic acid

2-(aminomethyl)-2,4-dimethylpentanoic acid (PubChem CID 106487145) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(aminomethyl)-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2,4-dimethylpentanoic acid
PubChem CID106487145
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(aminomethyl)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(CN)C(=O)O
InChIInChI=1S/C8H17NO2/c1-6(2)4-8(3,5-9)7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyGEWGLJQHAPMTQQ-UHFFFAOYSA-N
XLogP1.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminooxymethyl)-2,4-dimethylpentanoic acid
CID 105436137
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164
2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
CID 106487157
2-(aminomethyl)-2-(2,2-difluoroethyl)-4-methylpentanoic acid
CID 106488966
2-carbamoyl-2,4-dimethylpentanoic acid
CID 114899918
2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid
CID 106488991
2-(aminomethyl)-3-ethyl-2-(2-methylpropyl)pentanoic acid
CID 106488970
2-(aminomethyl)-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 106489127
2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 118610937
(1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate
CID 144582722
2-(aminomethyl)-2-(3-fluoropropyl)-4-methylpentanoic acid
CID 106489017
(3S)-1-hydroxy-3-(hydroxymethyl)-3,5-dimethylhexan-2-one
CID 161166707

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2,4-dimethylpentanoic acid?
The IUPAC name of 2-(aminomethyl)-2,4-dimethylpentanoic acid (CID 106487145) is 2-(aminomethyl)-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2,4-dimethylpentanoic acid is CC(C)CC(C)(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2,4-dimethylpentanoic acid?
The InChIKey is GEWGLJQHAPMTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)4-8(3,5-9)7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 2-(aminomethyl)-2,4-dimethylpentanoic acid?
2-(aminomethyl)-2,4-dimethylpentanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2,4-dimethylpentanoic acid is sourced from PubChem (CID 106487145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).