1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea

C10H20N4O3 — CID 104873824

IUPAC1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea
SMILESCC(C)(CNC(=O)NC1CCOC1)C(N)=NO
InChIInChI=1S/C10H20N4O3/c1-10(2,8(11)14-16)6-12-9(15)13-7-3-4-17-5-7/h7,16H,3-6H2,1-2H3,(H2,11,14)(H2,12,13,15)
InChIKeyBYKNJWWJIRTGMN-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.15
Rot. Bonds4

About 1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea

1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea (PubChem CID 104873824) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea
PubChem CID104873824
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea
SMILESCC(C)(CNC(=O)NC1CCOC1)C(N)=NO
InChIInChI=1S/C10H20N4O3/c1-10(2,8(11)14-16)6-12-9(15)13-7-3-4-17-5-7/h7,16H,3-6H2,1-2H3,(H2,11,14)(H2,12,13,15)
InChIKeyBYKNJWWJIRTGMN-UHFFFAOYSA-N
XLogP-0.15
TPSA108.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
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

1-(2,2-dimethylheptyl)-3-(oxolan-3-yl)urea
CID 115759165
1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea
CID 115759088
1-tert-butyl-3-(oxolan-3-yl)urea
CID 115755738
3-amino-2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 80717739
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 58469645
1-(4-aminopentyl)-3-(oxolan-3-yl)urea
CID 106125032
3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide
CID 76950134
1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea
CID 115759096
(2R)-2-amino-3,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 103930246
1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 115758905

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea (CID 104873824) is 1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea is CC(C)(CNC(=O)NC1CCOC1)C(N)=NO.
What is the InChIKey of 1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea?
The InChIKey is BYKNJWWJIRTGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-10(2,8(11)14-16)6-12-9(15)13-7-3-4-17-5-7/h7,16H,3-6H2,1-2H3,(H2,11,14)(H2,12,13,15).
What are the key properties of 1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea?
1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea has a molecular weight of 244.29 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 104873824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).