[(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid

C9H19N3O3 — CID 87306350

IUPAC[(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid
SMILESCC(C)(C)CN(CC/C(N)=N/O)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-9(2,3)6-12(8(13)14)5-4-7(10)11-15/h15H,4-6H2,1-3H3,(H2,10,11)(H,13,14)
InChIKeyLQIQBOSEDKYONT-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.15
Rot. Bonds4

About [(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid

[(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid (PubChem CID 87306350) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is [(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid.

Molecular Properties

Compound Name[(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid
PubChem CID87306350
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name[(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid
SMILESCC(C)(C)CN(CC/C(N)=N/O)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-9(2,3)6-12(8(13)14)5-4-7(10)11-15/h15H,4-6H2,1-3H3,(H2,10,11)(H,13,14)
InChIKeyLQIQBOSEDKYONT-UHFFFAOYSA-N
XLogP1.15
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.15
H-Bond Donors ≤ 53
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 [(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid?
The IUPAC name of [(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid (CID 87306350) is [(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid.
What is the SMILES notation for [(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid?
The canonical SMILES for [(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid is CC(C)(C)CN(CC/C(N)=N/O)C(=O)O.
What is the InChIKey of [(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid?
The InChIKey is LQIQBOSEDKYONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-9(2,3)6-12(8(13)14)5-4-7(10)11-15/h15H,4-6H2,1-3H3,(H2,10,11)(H,13,14).
What are the key properties of [(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid?
[(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid has a molecular weight of 217.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-amino-3-hydroxyiminopropyl]-(2,2-dimethylpropyl)carbamic acid is sourced from PubChem (CID 87306350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).