2,2-diamino-3-methyl-4-oxopentanoic acid

C6H12N2O3 — CID 23065100

IUPAC2,2-diamino-3-methyl-4-oxopentanoic acid
SMILESCC(=O)C(C)C(N)(N)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-3(4(2)9)6(7,8)5(10)11/h3H,7-8H2,1-2H3,(H,10,11)
InChIKeySCOZOHWKTFBYNS-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.09
Rot. Bonds3

About 2,2-diamino-3-methyl-4-oxopentanoic acid

2,2-diamino-3-methyl-4-oxopentanoic acid (PubChem CID 23065100) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2,2-diamino-3-methyl-4-oxopentanoic acid.

Molecular Properties

Compound Name2,2-diamino-3-methyl-4-oxopentanoic acid
PubChem CID23065100
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2,2-diamino-3-methyl-4-oxopentanoic acid
SMILESCC(=O)C(C)C(N)(N)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-3(4(2)9)6(7,8)5(10)11/h3H,7-8H2,1-2H3,(H,10,11)
InChIKeySCOZOHWKTFBYNS-UHFFFAOYSA-N
XLogP-1.09
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 157325550
3-acetyl-2,2-diaminohexanoic acid
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acetic acid;1-aminoethanol
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2-acetyl-2-amino-3-methylbutanoic acid
CID 18917748
2-amino-2-hydroxy-3-methylbutanoic acid
CID 5320350
2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)
CID 171930864
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802
2,3-diamino-2-(hydroxymethyl)butanoic acid
CID 22035189
(2S)-2-aminopropanoic acid
CID 5950
1,1-diaminopropan-2-one;dihydrochloride
CID 21126739
(2S)-2-aminopropanoic acid
CID 18446182

Frequently Asked Questions

What is the IUPAC name of 2,2-diamino-3-methyl-4-oxopentanoic acid?
The IUPAC name of 2,2-diamino-3-methyl-4-oxopentanoic acid (CID 23065100) is 2,2-diamino-3-methyl-4-oxopentanoic acid.
What is the SMILES notation for 2,2-diamino-3-methyl-4-oxopentanoic acid?
The canonical SMILES for 2,2-diamino-3-methyl-4-oxopentanoic acid is CC(=O)C(C)C(N)(N)C(=O)O.
What is the InChIKey of 2,2-diamino-3-methyl-4-oxopentanoic acid?
The InChIKey is SCOZOHWKTFBYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3(4(2)9)6(7,8)5(10)11/h3H,7-8H2,1-2H3,(H,10,11).
What are the key properties of 2,2-diamino-3-methyl-4-oxopentanoic acid?
2,2-diamino-3-methyl-4-oxopentanoic acid has a molecular weight of 160.17 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diamino-3-methyl-4-oxopentanoic acid is sourced from PubChem (CID 23065100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).