phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate

C12H15N3O3 — CID 77038404

IUPACphenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate
SMILESNC(=NO)C(NC(=O)Oc1ccccc1)C1CC1
InChIInChI=1S/C12H15N3O3/c13-11(15-17)10(8-6-7-8)14-12(16)18-9-4-2-1-3-5-9/h1-5,8,10,17H,6-7H2,(H2,13,15)(H,14,16)
InChIKeyPUBWTSYFPBXMMS-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.30
Rot. Bonds4

About phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate

phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate (PubChem CID 77038404) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate
PubChem CID77038404
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namephenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate
SMILESNC(=NO)C(NC(=O)Oc1ccccc1)C1CC1
InChIInChI=1S/C12H15N3O3/c13-11(15-17)10(8-6-7-8)14-12(16)18-9-4-2-1-3-5-9/h1-5,8,10,17H,6-7H2,(H2,13,15)(H,14,16)
InChIKeyPUBWTSYFPBXMMS-UHFFFAOYSA-N
XLogP1.30
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.30
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 61124032
(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
CID 77038333
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide
CID 77038556
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)naphthalene-1-carboxamide
CID 77038961
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
CID 77038392
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-propoxybenzamide
CID 77039305
phenyl N-[1-(oxan-4-yl)ethyl]carbamate
CID 103771775
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-bromobenzamide
CID 77039302
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-hydroxy-3-methoxybenzamide
CID 77038559
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide
CID 77039374
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-5-bromothiophene-2-carboxamide
CID 77039239
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide
CID 81124648

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate?
The IUPAC name of phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate (CID 77038404) is phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate.
What is the SMILES notation for phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate?
The canonical SMILES for phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate is NC(=NO)C(NC(=O)Oc1ccccc1)C1CC1.
What is the InChIKey of phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate?
The InChIKey is PUBWTSYFPBXMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-11(15-17)10(8-6-7-8)14-12(16)18-9-4-2-1-3-5-9/h1-5,8,10,17H,6-7H2,(H2,13,15)(H,14,16).
What are the key properties of phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate?
phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate has a molecular weight of 249.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate is sourced from PubChem (CID 77038404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).