(3-amino-3-hydroxyiminopropyl)-(2,2-dimethylpropyl)carbamic acid

C9H19N3O3 — CID 152744294

IUPAC(3-amino-3-hydroxyiminopropyl)-(2,2-dimethylpropyl)carbamic acid
SMILESCC(C)(C)CN(CCC(N)=NO)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 (3-amino-3-hydroxyiminopropyl)-(2,2-dimethylpropyl)carbamic acid

(3-amino-3-hydroxyiminopropyl)-(2,2-dimethylpropyl)carbamic acid (PubChem CID 152744294) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is (3-amino-3-hydroxyiminopropyl)-(2,2-dimethylpropyl)carbamic acid.

Molecular Properties

Compound Name(3-amino-3-hydroxyiminopropyl)-(2,2-dimethylpropyl)carbamic acid
PubChem CID152744294
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name(3-amino-3-hydroxyiminopropyl)-(2,2-dimethylpropyl)carbamic acid
SMILESCC(C)(C)CN(CCC(N)=NO)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 (3-amino-3-hydroxyiminopropyl)-(2,2-dimethylpropyl)carbamic acid?
The IUPAC name of (3-amino-3-hydroxyiminopropyl)-(2,2-dimethylpropyl)carbamic acid (CID 152744294) is (3-amino-3-hydroxyiminopropyl)-(2,2-dimethylpropyl)carbamic acid.
What is the SMILES notation for (3-amino-3-hydroxyiminopropyl)-(2,2-dimethylpropyl)carbamic acid?
The canonical SMILES for (3-amino-3-hydroxyiminopropyl)-(2,2-dimethylpropyl)carbamic acid is CC(C)(C)CN(CCC(N)=NO)C(=O)O.
What is the InChIKey of (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 (3-amino-3-hydroxyiminopropyl)-(2,2-dimethylpropyl)carbamic acid?
(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 (3-amino-3-hydroxyiminopropyl)-(2,2-dimethylpropyl)carbamic acid is sourced from PubChem (CID 152744294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).