5-amino-2-methyl-4-oxopentanoic acid

C6H11NO3 — CID 54157540

IUPAC5-amino-2-methyl-4-oxopentanoic acid
SMILESCC(CC(=O)CN)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(6(9)10)2-5(8)3-7/h4H,2-3,7H2,1H3,(H,9,10)
InChIKeyHJBHOJZDRYXROF-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.38
Rot. Bonds4

About 5-amino-2-methyl-4-oxopentanoic acid

5-amino-2-methyl-4-oxopentanoic acid (PubChem CID 54157540) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 5-amino-2-methyl-4-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-methyl-4-oxopentanoic acid
PubChem CID54157540
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name5-amino-2-methyl-4-oxopentanoic acid
SMILESCC(CC(=O)CN)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(6(9)10)2-5(8)3-7/h4H,2-3,7H2,1H3,(H,9,10)
InChIKeyHJBHOJZDRYXROF-UHFFFAOYSA-N
XLogP-0.38
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-4-oxopentanoic acid?
The IUPAC name of 5-amino-2-methyl-4-oxopentanoic acid (CID 54157540) is 5-amino-2-methyl-4-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-methyl-4-oxopentanoic acid?
The canonical SMILES for 5-amino-2-methyl-4-oxopentanoic acid is CC(CC(=O)CN)C(=O)O.
What is the InChIKey of 5-amino-2-methyl-4-oxopentanoic acid?
The InChIKey is HJBHOJZDRYXROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(6(9)10)2-5(8)3-7/h4H,2-3,7H2,1H3,(H,9,10).
What are the key properties of 5-amino-2-methyl-4-oxopentanoic acid?
5-amino-2-methyl-4-oxopentanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-4-oxopentanoic acid is sourced from PubChem (CID 54157540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).