[(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid

C4H9N3O3 — CID 87443073

IUPAC[(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid
SMILESN/C(CCNC(=O)O)=N/O
InChIInChI=1S/C4H9N3O3/c5-3(7-10)1-2-6-4(8)9/h6,10H,1-2H2,(H2,5,7)(H,8,9)
InChIKeyIRLIFXRJRNCLDV-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.61
Rot. Bonds3

About [(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid

[(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid (PubChem CID 87443073) has the molecular formula C4H9N3O3 and a molecular weight of 147.13 g/mol. Its IUPAC name is [(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid.

Molecular Properties

Compound Name[(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid
PubChem CID87443073
Molecular FormulaC4H9N3O3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name[(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid
SMILESN/C(CCNC(=O)O)=N/O
InChIInChI=1S/C4H9N3O3/c5-3(7-10)1-2-6-4(8)9/h6,10H,1-2H2,(H2,5,7)(H,8,9)
InChIKeyIRLIFXRJRNCLDV-UHFFFAOYSA-N
XLogP-0.61
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid?
The IUPAC name of [(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid (CID 87443073) is [(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid.
What is the SMILES notation for [(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid?
The canonical SMILES for [(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid is N/C(CCNC(=O)O)=N/O.
What is the InChIKey of [(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid?
The InChIKey is IRLIFXRJRNCLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O3/c5-3(7-10)1-2-6-4(8)9/h6,10H,1-2H2,(H2,5,7)(H,8,9).
What are the key properties of [(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid?
[(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid has a molecular weight of 147.13 g/mol, XLogP of -0.61, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid is sourced from PubChem (CID 87443073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).