[(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate

C11H17N3O4 — CID 170073789

IUPAC[(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)ONC(=O)C12CC(C(N)=O)(C1)C2
InChIInChI=1S/C11H17N3O4/c1-6(2)13-9(17)18-14-8(16)11-3-10(4-11,5-11)7(12)15/h6H,3-5H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16)
InChIKeyYNNYFQJAGMUGJY-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.19
Rot. Bonds3

About [(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate

[(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate (PubChem CID 170073789) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is [(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate
PubChem CID170073789
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name[(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)ONC(=O)C12CC(C(N)=O)(C1)C2
InChIInChI=1S/C11H17N3O4/c1-6(2)13-9(17)18-14-8(16)11-3-10(4-11,5-11)7(12)15/h6H,3-5H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16)
InChIKeyYNNYFQJAGMUGJY-UHFFFAOYSA-N
XLogP-0.19
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 134598960
methyl 5-carbamoylbicyclo[3.3.1]nonane-1-carboxylate
CID 727235
(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate
CID 118330233
2-carbamoyloxyethenyl N-propan-2-ylcarbamate
CID 138742163
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
iodomethyl N-propan-2-ylcarbamate
CID 86715162
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
propan-2-ylcarbamoyloxymethyl ethanimidate
CID 138493389
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 146427466
3-hydroxy-N-[(1S)-1-methylsulfanylethyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 167135234
3,3-dimethyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 80706182

Frequently Asked Questions

What is the IUPAC name of [(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate?
The IUPAC name of [(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate (CID 170073789) is [(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate.
What is the SMILES notation for [(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate?
The canonical SMILES for [(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate is CC(C)NC(=O)ONC(=O)C12CC(C(N)=O)(C1)C2.
What is the InChIKey of [(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate?
The InChIKey is YNNYFQJAGMUGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6(2)13-9(17)18-14-8(16)11-3-10(4-11,5-11)7(12)15/h6H,3-5H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16).
What are the key properties of [(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate?
[(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate has a molecular weight of 255.27 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-carbamoylbicyclo[1.1.1]pentane-1-carbonyl)amino] N-propan-2-ylcarbamate is sourced from PubChem (CID 170073789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).