5-[hydroxy(methyl)amino]-5-oxopentanoic acid

C6H11NO4 — CID 46224091

IUPAC5-[hydroxy(methyl)amino]-5-oxopentanoic acid
SMILESCN(O)C(=O)CCCC(=O)O
InChIInChI=1S/C6H11NO4/c1-7(11)5(8)3-2-4-6(9)10/h11H,2-4H2,1H3,(H,9,10)
InChIKeyJFEAEEFTHWVOQX-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.09
Rot. Bonds4

About 5-[hydroxy(methyl)amino]-5-oxopentanoic acid

5-[hydroxy(methyl)amino]-5-oxopentanoic acid (PubChem CID 46224091) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-[hydroxy(methyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[hydroxy(methyl)amino]-5-oxopentanoic acid
PubChem CID46224091
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name5-[hydroxy(methyl)amino]-5-oxopentanoic acid
SMILESCN(O)C(=O)CCCC(=O)O
InChIInChI=1S/C6H11NO4/c1-7(11)5(8)3-2-4-6(9)10/h11H,2-4H2,1H3,(H,9,10)
InChIKeyJFEAEEFTHWVOQX-UHFFFAOYSA-N
XLogP0.09
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
N-hydroxy-N-methyloctadecanamide
CID 19818891
chloromethane;pentanedioic acid
CID 159659659
erbium;pentanedioic acid
CID 87931794
azane;bis(pentanedioic acid)
CID 138524332
pentanedioic acid;stibane
CID 173344083
CID 87067075
CID 87067075
5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 60891554
8-[ethyl(methyl)amino]-8-oxooctanoic acid
CID 175615328
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639
3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119233192
N-hydroxy-N,7,7-trimethyloctanamide
CID 19818896

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(methyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[hydroxy(methyl)amino]-5-oxopentanoic acid (CID 46224091) is 5-[hydroxy(methyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[hydroxy(methyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[hydroxy(methyl)amino]-5-oxopentanoic acid is CN(O)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[hydroxy(methyl)amino]-5-oxopentanoic acid?
The InChIKey is JFEAEEFTHWVOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-7(11)5(8)3-2-4-6(9)10/h11H,2-4H2,1H3,(H,9,10).
What are the key properties of 5-[hydroxy(methyl)amino]-5-oxopentanoic acid?
5-[hydroxy(methyl)amino]-5-oxopentanoic acid has a molecular weight of 161.16 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(methyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 46224091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).