tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate

C10H21N3O3 — CID 62665698

IUPACtert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate
SMILESCCN(CC/C(N)=N/O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21N3O3/c1-5-13(7-6-8(11)12-15)9(14)16-10(2,3)4/h15H,5-7H2,1-4H3,(H2,11,12)
InChIKeyYWNRNHKXZGHYNO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.38
Rot. Bonds4

About tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate

tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate (PubChem CID 62665698) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate
PubChem CID62665698
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Nametert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate
SMILESCCN(CC/C(N)=N/O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21N3O3/c1-5-13(7-6-8(11)12-15)9(14)16-10(2,3)4/h15H,5-7H2,1-4H3,(H2,11,12)
InChIKeyYWNRNHKXZGHYNO-UHFFFAOYSA-N
XLogP1.38
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate (CID 62665698) is tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate is CCN(CC/C(N)=N/O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate?
The InChIKey is YWNRNHKXZGHYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-5-13(7-6-8(11)12-15)9(14)16-10(2,3)4/h15H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate?
tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate has a molecular weight of 231.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethylcarbamate is sourced from PubChem (CID 62665698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).