4-hydroxy-2-iminohexanoic acid

C6H11NO3 — CID 174538418

IUPAC4-hydroxy-2-iminohexanoic acid
SMILES[H]/N=C(/CC(O)CC)C(=O)O
InChIInChI=1S/C6H11NO3/c1-2-4(8)3-5(7)6(9)10/h4,7-8H,2-3H2,1H3,(H,9,10)/b7-5-
InChIKeyPBVVDGROUFWYSA-ALCCZGGFSA-N
MW145.16 g/mol
LogP0.25
Rot. Bonds4

About 4-hydroxy-2-iminohexanoic acid

4-hydroxy-2-iminohexanoic acid (PubChem CID 174538418) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-hydroxy-2-iminohexanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-iminohexanoic acid
PubChem CID174538418
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name4-hydroxy-2-iminohexanoic acid
SMILES[H]/N=C(/CC(O)CC)C(=O)O
InChIInChI=1S/C6H11NO3/c1-2-4(8)3-5(7)6(9)10/h4,7-8H,2-3H2,1H3,(H,9,10)/b7-5-
InChIKeyPBVVDGROUFWYSA-ALCCZGGFSA-N
XLogP0.25
TPSA81.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-imino-4-methylhex-5-ynoic acid
CID 174775404
3-hydroxypentanoic acid;methanol
CID 174973747
(4R)-7-ethoxy-2-imino-4-methyl-5,7-dioxoheptanoic acid
CID 174606084
(4R)-2-imino-4-methylsulfonyloxypentanoic acid
CID 174638082
2-iminohexanoic acid
CID 54447751
3-hydroxypentanoic acid;propa-1,2-diene
CID 174838105
2-imino-4,4-dimethylpentanoic acid
CID 148878932
CID 161078070
CID 161078070
pentan-3-yl (3S)-3-hydroxypentanoate
CID 11116800
(Z)-4,6-dihydroxyoct-3-en-2-one
CID 23542538
3-hydroxypentanamide;hydrochloride
CID 174591125
magnesium bis(3-hydroxypentanoate)
CID 164775085

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-iminohexanoic acid?
The IUPAC name of 4-hydroxy-2-iminohexanoic acid (CID 174538418) is 4-hydroxy-2-iminohexanoic acid.
What is the SMILES notation for 4-hydroxy-2-iminohexanoic acid?
The canonical SMILES for 4-hydroxy-2-iminohexanoic acid is [H]/N=C(/CC(O)CC)C(=O)O.
What is the InChIKey of 4-hydroxy-2-iminohexanoic acid?
The InChIKey is PBVVDGROUFWYSA-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-4(8)3-5(7)6(9)10/h4,7-8H,2-3H2,1H3,(H,9,10)/b7-5-.
What are the key properties of 4-hydroxy-2-iminohexanoic acid?
4-hydroxy-2-iminohexanoic acid has a molecular weight of 145.16 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-iminohexanoic acid is sourced from PubChem (CID 174538418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).