2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide

C12H22N4O2 — CID 61231473

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C12H22N4O2/c1-7(11(17)15-12(13)18)16(2)10-5-8-3-4-9(6-10)14-8/h7-10,14H,3-6H2,1-2H3,(H3,13,15,17,18)
InChIKeyQGKUOCGIDAKKMA-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.22
Rot. Bonds3

About 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide

2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide (PubChem CID 61231473) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide
PubChem CID61231473
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C12H22N4O2/c1-7(11(17)15-12(13)18)16(2)10-5-8-3-4-9(6-10)14-8/h7-10,14H,3-6H2,1-2H3,(H3,13,15,17,18)
InChIKeyQGKUOCGIDAKKMA-UHFFFAOYSA-N
XLogP-0.22
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide
CID 66188069
2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide
CID 79121744
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide
CID 61230707
N-carbamoyl-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301604
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide
CID 61230790
N-cyclopropyl-2-[(3-hydroxycyclobutyl)-methylamino]propanamide
CID 136530890
(2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
CID 94219248
(2R)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
CID 94219249
propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
CID 61231285
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-propan-2-yloxyacetamide
CID 112703716
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-pentan-3-ylpropanamide
CID 61230425
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-propylpropanamide
CID 61231954

Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide (CID 61231473) is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide is CC(C(=O)NC(N)=O)N(C)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide?
The InChIKey is QGKUOCGIDAKKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-7(11(17)15-12(13)18)16(2)10-5-8-3-4-9(6-10)14-8/h7-10,14H,3-6H2,1-2H3,(H3,13,15,17,18).
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide?
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide has a molecular weight of 254.33 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide is sourced from PubChem (CID 61231473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).