5-(methylamino)-4-oxopentanoic acid

C6H11NO3 — CID 58703584

IUPAC5-(methylamino)-4-oxopentanoic acid
SMILESCNCC(=O)CCC(=O)O
InChIInChI=1S/C6H11NO3/c1-7-4-5(8)2-3-6(9)10/h7H,2-4H2,1H3,(H,9,10)
InChIKeyCBBBBRGWARXEHN-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.36
Rot. Bonds5

About 5-(methylamino)-4-oxopentanoic acid

5-(methylamino)-4-oxopentanoic acid (PubChem CID 58703584) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 5-(methylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-(methylamino)-4-oxopentanoic acid
PubChem CID58703584
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name5-(methylamino)-4-oxopentanoic acid
SMILESCNCC(=O)CCC(=O)O
InChIInChI=1S/C6H11NO3/c1-7-4-5(8)2-3-6(9)10/h7H,2-4H2,1H3,(H,9,10)
InChIKeyCBBBBRGWARXEHN-UHFFFAOYSA-N
XLogP-0.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Aminolevulinic Acid
CID 137
5-Acetamido-4-oxopentanoic acid
CID 10171277
5-(Hexylamino)-4-oxopentanoic acid
CID 44583115
5-Ammoniolevulinic acid
CID 12087606
5-methylaminopentanoic Acid
CID 11665412
5-(N,N-dimethylamino)levulinic acid
CID 121448648
5-Amino-3,3-dideuterio-4-oxopentanoic acid
CID 12087611
5-Amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid
CID 118718878
5-Amino-5,5-dideuterio-4-oxopentanoic acid
CID 118719118
Sarcosine ylpyruvic acid
CID 129680663
5-amino-4-oxo(113C)pentanoic acid
CID 9989311
5-Amino-2,2-dideuterio-4-oxopentanoic acid
CID 10986271

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-4-oxopentanoic acid?
The IUPAC name of 5-(methylamino)-4-oxopentanoic acid (CID 58703584) is 5-(methylamino)-4-oxopentanoic acid.
What is the SMILES notation for 5-(methylamino)-4-oxopentanoic acid?
The canonical SMILES for 5-(methylamino)-4-oxopentanoic acid is CNCC(=O)CCC(=O)O.
What is the InChIKey of 5-(methylamino)-4-oxopentanoic acid?
The InChIKey is CBBBBRGWARXEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7-4-5(8)2-3-6(9)10/h7H,2-4H2,1H3,(H,9,10).
What are the key properties of 5-(methylamino)-4-oxopentanoic acid?
5-(methylamino)-4-oxopentanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-4-oxopentanoic acid is sourced from PubChem (CID 58703584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).