4-amino-4-methylpentanoic acid

C12H26N2O4 — CID 158438218

IUPAC4-amino-4-methylpentanoic acid
SMILESCC(C)(N)CCC(=O)O.CC(C)(N)CCC(=O)O
InChIInChI=1S/2C6H13NO2/c2*1-6(2,7)4-3-5(8)9/h2*3-4,7H2,1-2H3,(H,8,9)
InChIKeyHCMKRTSRVXXWIV-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.18
Rot. Bonds6

About 4-amino-4-methylpentanoic acid

4-amino-4-methylpentanoic acid (PubChem CID 158438218) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-4-methylpentanoic acid.

Molecular Properties

Compound Name4-amino-4-methylpentanoic acid
PubChem CID158438218
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Name4-amino-4-methylpentanoic acid
SMILESCC(C)(N)CCC(=O)O.CC(C)(N)CCC(=O)O
InChIInChI=1S/2C6H13NO2/c2*1-6(2,7)4-3-5(8)9/h2*3-4,7H2,1-2H3,(H,8,9)
InChIKeyHCMKRTSRVXXWIV-UHFFFAOYSA-N
XLogP1.18
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-4,4,6-trimethylheptanoic acid
CID 137482851
4,4-diaminoheptanedioic acid
CID 158684867
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550
1-methylpropane-1,1,3-tricarboxylic acid
CID 3451460
5-amino-4-methyl-4-sulfanylpentanoic acid
CID 21447959
5-amino-1-chloro-5-methylhexan-2-one
CID 87814938
4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid
CID 88969016
6-amino-7-hydroxy-4,4,6-trimethylheptanoic acid
CID 137482879
4,4-dimethylhexanoic acid
CID 12563914
6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65285788
4-methyl-4-phosphorosohexanoic acid
CID 174865443
4,5-dihydroxy-4-methylpentanoic acid
CID 55303456

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methylpentanoic acid?
The IUPAC name of 4-amino-4-methylpentanoic acid (CID 158438218) is 4-amino-4-methylpentanoic acid.
What is the SMILES notation for 4-amino-4-methylpentanoic acid?
The canonical SMILES for 4-amino-4-methylpentanoic acid is CC(C)(N)CCC(=O)O.CC(C)(N)CCC(=O)O.
What is the InChIKey of 4-amino-4-methylpentanoic acid?
The InChIKey is HCMKRTSRVXXWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13NO2/c2*1-6(2,7)4-3-5(8)9/h2*3-4,7H2,1-2H3,(H,8,9).
What are the key properties of 4-amino-4-methylpentanoic acid?
4-amino-4-methylpentanoic acid has a molecular weight of 262.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methylpentanoic acid is sourced from PubChem (CID 158438218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).