N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

C13H21N3O2 — CID 172598940

IUPACN-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)CC1(CNC(=O)C2CC3CCC2N3)CC1
InChIInChI=1S/C13H21N3O2/c14-11(17)6-13(3-4-13)7-15-12(18)9-5-8-1-2-10(9)16-8/h8-10,16H,1-7H2,(H2,14,17)(H,15,18)
InChIKeyNJQOAILHJGPDEJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.10
Rot. Bonds5

About N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 172598940) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID172598940
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)CC1(CNC(=O)C2CC3CCC2N3)CC1
InChIInChI=1S/C13H21N3O2/c14-11(17)6-13(3-4-13)7-15-12(18)9-5-8-1-2-10(9)16-8/h8-10,16H,1-7H2,(H2,14,17)(H,15,18)
InChIKeyNJQOAILHJGPDEJ-UHFFFAOYSA-N
XLogP-0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 112701950
N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106096594
N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106176726
N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107842560
N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 115739349
N-(4-hydroxy-2,2-dimethylbutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114150080
N-[2-(dimethylsulfamoyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114175261
N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106135216
N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide
CID 126819028
N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113267465
5-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113441124
N-[2-(2-hydroxyethyl)pentyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114145522

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 172598940) is N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is NC(=O)CC1(CNC(=O)C2CC3CCC2N3)CC1.
What is the InChIKey of N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NJQOAILHJGPDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-11(17)6-13(3-4-13)7-15-12(18)9-5-8-1-2-10(9)16-8/h8-10,16H,1-7H2,(H2,14,17)(H,15,18).
What are the key properties of N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 172598940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).