4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid

C11H18N2O3 — CID 165463588

IUPAC4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC1CC2CNC(C2)C1
InChIInChI=1S/C11H18N2O3/c14-10(1-2-11(15)16)13-9-4-7-3-8(5-9)12-6-7/h7-9,12H,1-6H2,(H,13,14)(H,15,16)
InChIKeyZVCNMJKZBOOYGQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.11
Rot. Bonds4

About 4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid

4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid (PubChem CID 165463588) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid
PubChem CID165463588
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC1CC2CNC(C2)C1
InChIInChI=1S/C11H18N2O3/c14-10(1-2-11(15)16)13-9-4-7-3-8(5-9)12-6-7/h7-9,12H,1-6H2,(H,13,14)(H,15,16)
InChIKeyZVCNMJKZBOOYGQ-UHFFFAOYSA-N
XLogP0.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide
CID 165463592
2-(6-azabicyclo[3.2.1]octan-3-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 165477009
methyl 2-(6-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoacetate
CID 165463590
1-(6-azabicyclo[3.2.1]octan-3-yl)-3-(2-methoxyethyl)urea
CID 165463568
N-methyl-6-azabicyclo[3.2.1]octan-3-amine
CID 171036183
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine
CID 165469238
N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroethanesulfonamide
CID 165463594
4-[[2-(3-carboxypropanoylamino)cyclohexyl]amino]-4-oxobutanoic acid
CID 2913415
N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
N,N'-dicyclopropylbutanediamide
CID 5225156
4-[[3,4-di(tetradecanoyloxy)cyclopentyl]amino]-4-oxobutanoic acid
CID 170968626

Frequently Asked Questions

What is the IUPAC name of 4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid (CID 165463588) is 4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid is O=C(O)CCC(=O)NC1CC2CNC(C2)C1.
What is the InChIKey of 4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid?
The InChIKey is ZVCNMJKZBOOYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(1-2-11(15)16)13-9-4-7-3-8(5-9)12-6-7/h7-9,12H,1-6H2,(H,13,14)(H,15,16).
What are the key properties of 4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid?
4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid is sourced from PubChem (CID 165463588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).