2-imino-2-propanimidoyloxyacetic acid

C5H8N2O3 — CID 91076826

IUPAC2-imino-2-propanimidoyloxyacetic acid
SMILES[H]/N=C(\CC)O/C(=N/[H])C(=O)O
InChIInChI=1S/C5H8N2O3/c1-2-3(6)10-4(7)5(8)9/h6-7H,2H2,1H3,(H,8,9)/b6-3+,7-4+
InChIKeyNUYDDZRCNVZJPZ-XOKGJFMYSA-N
MW144.13 g/mol
LogP0.45
Rot. Bonds1

About 2-imino-2-propanimidoyloxyacetic acid

2-imino-2-propanimidoyloxyacetic acid (PubChem CID 91076826) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-imino-2-propanimidoyloxyacetic acid.

Molecular Properties

Compound Name2-imino-2-propanimidoyloxyacetic acid
PubChem CID91076826
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name2-imino-2-propanimidoyloxyacetic acid
SMILES[H]/N=C(\CC)O/C(=N/[H])C(=O)O
InChIInChI=1S/C5H8N2O3/c1-2-3(6)10-4(7)5(8)9/h6-7H,2H2,1H3,(H,8,9)/b6-3+,7-4+
InChIKeyNUYDDZRCNVZJPZ-XOKGJFMYSA-N
XLogP0.45
TPSA94.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-oxobutan-2-ylideneamino] propanimidate
CID 11763670
dimethylamino propanimidate
CID 102398349
ethyl 3-ethoxy-3-iminopropanoate;propanoic acid;hydrochloride
CID 160619856
3-sulfanylpropanoyl 4-imino-4-(3-sulfanylpropanoyloxy)butanoate
CID 87390425
N-carbamoyl-2-propanimidoyloxyacetonitrilium
CID 87090102
3-(propyldisulfanyl)propanoyl 4-imino-4-[3-(propyldisulfanyl)propanoyloxy]butanoate
CID 87637751
carboxy 4-carboxyoxy-2-hydroxy-4-iminobutanoate
CID 18517211
methyl 4-iminohexanoate
CID 23565330
hexyl propanimidate
CID 148667462
4-hydroxy-2-iminohexanoic acid
CID 174538418
[(4-methylbenzoyl)amino] propanimidate
CID 101177941
2-methylpropyl 3-oxopentanimidate
CID 137470668

Frequently Asked Questions

What is the IUPAC name of 2-imino-2-propanimidoyloxyacetic acid?
The IUPAC name of 2-imino-2-propanimidoyloxyacetic acid (CID 91076826) is 2-imino-2-propanimidoyloxyacetic acid.
What is the SMILES notation for 2-imino-2-propanimidoyloxyacetic acid?
The canonical SMILES for 2-imino-2-propanimidoyloxyacetic acid is [H]/N=C(\CC)O/C(=N/[H])C(=O)O.
What is the InChIKey of 2-imino-2-propanimidoyloxyacetic acid?
The InChIKey is NUYDDZRCNVZJPZ-XOKGJFMYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-2-3(6)10-4(7)5(8)9/h6-7H,2H2,1H3,(H,8,9)/b6-3+,7-4+.
What are the key properties of 2-imino-2-propanimidoyloxyacetic acid?
2-imino-2-propanimidoyloxyacetic acid has a molecular weight of 144.13 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-propanimidoyloxyacetic acid is sourced from PubChem (CID 91076826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).