2,5-diamino-2-methylpentanoic acid

C6H14N2O2 — CID 2113

IUPAC2,5-diamino-2-methylpentanoic acid
SMILESCC(N)(CCCN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-6(8,5(9)10)3-2-4-7/h2-4,7-8H2,1H3,(H,9,10)
InChIKeyLNDPCYHWPSQBCA-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.47
Rot. Bonds4

About 2,5-diamino-2-methylpentanoic acid

2,5-diamino-2-methylpentanoic acid (PubChem CID 2113) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,5-diamino-2-methylpentanoic acid.

Molecular Properties

Compound Name2,5-diamino-2-methylpentanoic acid
PubChem CID2113
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2,5-diamino-2-methylpentanoic acid
SMILESCC(N)(CCCN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-6(8,5(9)10)3-2-4-7/h2-4,7-8H2,1H3,(H,9,10)
InChIKeyLNDPCYHWPSQBCA-UHFFFAOYSA-N
XLogP-0.47
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

L-Leucine
CID 6106
L-(-)-Ornithine
CID 6262
Eflornithine
CID 3009
D-Leucine
CID 439524
D-Ornithine
CID 71082
Ornithine, 2-(difluoromethyl)-, hydrochloride, hydrate (1:1:1)
CID 441361
Ornithine hydrochloride
CID 76654
DL-leucine
CID 857
Eflornithine hydrochloride anhydrous
CID 57004
2,5-Diaminopentanoic Acid
CID 389
DL-ornithine hydrochloride
CID 71598
L-leucinium
CID 5460900

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-2-methylpentanoic acid?
The IUPAC name of 2,5-diamino-2-methylpentanoic acid (CID 2113) is 2,5-diamino-2-methylpentanoic acid.
What is the SMILES notation for 2,5-diamino-2-methylpentanoic acid?
The canonical SMILES for 2,5-diamino-2-methylpentanoic acid is CC(N)(CCCN)C(=O)O.
What is the InChIKey of 2,5-diamino-2-methylpentanoic acid?
The InChIKey is LNDPCYHWPSQBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-6(8,5(9)10)3-2-4-7/h2-4,7-8H2,1H3,(H,9,10).
What are the key properties of 2,5-diamino-2-methylpentanoic acid?
2,5-diamino-2-methylpentanoic acid has a molecular weight of 146.19 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-2-methylpentanoic acid is sourced from PubChem (CID 2113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).