2,3-diamino-2-methylpentanoic acid

C6H14N2O2 — CID 174904940

IUPAC2,3-diamino-2-methylpentanoic acid
SMILESCCC(N)C(C)(N)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-3-4(7)6(2,8)5(9)10/h4H,3,7-8H2,1-2H3,(H,9,10)
InChIKeyXKHZCCZQSCYSFP-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.47
Rot. Bonds3

About 2,3-diamino-2-methylpentanoic acid

2,3-diamino-2-methylpentanoic acid (PubChem CID 174904940) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,3-diamino-2-methylpentanoic acid.

Molecular Properties

Compound Name2,3-diamino-2-methylpentanoic acid
PubChem CID174904940
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2,3-diamino-2-methylpentanoic acid
SMILESCCC(N)C(C)(N)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-3-4(7)6(2,8)5(9)10/h4H,3,7-8H2,1-2H3,(H,9,10)
InChIKeyXKHZCCZQSCYSFP-UHFFFAOYSA-N
XLogP-0.47
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-ethyl-2-methylpentanoic acid;hydrochloride
CID 165389637
3-amino-2-(dimethylamino)-2-methylpentanoic acid
CID 174424102
2-amino-3-ethyl-2,4-dimethyl-4-sulfanylpentanoic acid
CID 123718615
(2S)-2-amino-3-hydroxy-2-methylhexanoic acid
CID 45086731
4-amino-2,2-dimethylhexanoic acid
CID 91454797
(2R,3S)-2-amino-3-hydroxy-2-methyloctanoic acid
CID 44817672
2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid
CID 175971387
(3-amino-2-methylpentan-2-yl) acetate
CID 174797073
2-amino-4-hydroxy-2-methylhexanoic acid
CID 87771326
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
(2S)-2-aminopropanoic acid;propane-1,1-diamine
CID 88729324

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-2-methylpentanoic acid?
The IUPAC name of 2,3-diamino-2-methylpentanoic acid (CID 174904940) is 2,3-diamino-2-methylpentanoic acid.
What is the SMILES notation for 2,3-diamino-2-methylpentanoic acid?
The canonical SMILES for 2,3-diamino-2-methylpentanoic acid is CCC(N)C(C)(N)C(=O)O.
What is the InChIKey of 2,3-diamino-2-methylpentanoic acid?
The InChIKey is XKHZCCZQSCYSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-3-4(7)6(2,8)5(9)10/h4H,3,7-8H2,1-2H3,(H,9,10).
What are the key properties of 2,3-diamino-2-methylpentanoic acid?
2,3-diamino-2-methylpentanoic acid has a molecular weight of 146.19 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-2-methylpentanoic acid is sourced from PubChem (CID 174904940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).