[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea

C10H17N3O2 — CID 136578618

IUPAC[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea
SMILESNC(=O)NCCC(=O)N1CC2CCC1C2
InChIInChI=1S/C10H17N3O2/c11-10(15)12-4-3-9(14)13-6-7-1-2-8(13)5-7/h7-8H,1-6H2,(H3,11,12,15)
InChIKeyPSCUJRKIINHMHC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.06
Rot. Bonds3

About [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea

[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea (PubChem CID 136578618) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea
PubChem CID136578618
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea
SMILESNC(=O)NCCC(=O)N1CC2CCC1C2
InChIInChI=1S/C10H17N3O2/c11-10(15)12-4-3-9(14)13-6-7-1-2-8(13)5-7/h7-8H,1-6H2,(H3,11,12,15)
InChIKeyPSCUJRKIINHMHC-UHFFFAOYSA-N
XLogP0.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate
CID 61072270
[5-[(1S,8R)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-5-oxopentyl]urea
CID 95164398
N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]benzenesulfonamide
CID 51088688
1-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromopentan-1-one
CID 107909874
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one
CID 79191629
N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 130614903
4-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxybutan-1-one
CID 103155667
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 79607697
1-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-piperidin-4-ylethanone
CID 129375093
[3-[5-(1-benzofuran-6-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-oxopropyl]urea
CID 167765602
[2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea
CID 131915772
[2-[(1R,5S)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]urea
CID 155563163

Frequently Asked Questions

What is the IUPAC name of [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea?
The IUPAC name of [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea (CID 136578618) is [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea.
What is the SMILES notation for [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea?
The canonical SMILES for [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea is NC(=O)NCCC(=O)N1CC2CCC1C2.
What is the InChIKey of [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea?
The InChIKey is PSCUJRKIINHMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c11-10(15)12-4-3-9(14)13-6-7-1-2-8(13)5-7/h7-8H,1-6H2,(H3,11,12,15).
What are the key properties of [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea?
[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea has a molecular weight of 211.26 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea is sourced from PubChem (CID 136578618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).