3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide

C12H23N3O2 — CID 79853865

IUPAC3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)CC1(N)CCC1
InChIInChI=1S/C12H23N3O2/c1-2-7-14-10(16)4-8-15-11(17)9-12(13)5-3-6-12/h2-9,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyGPCCHMPMIJUWMS-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.29
Rot. Bonds7

About 3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide

3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide (PubChem CID 79853865) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide
PubChem CID79853865
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)CC1(N)CCC1
InChIInChI=1S/C12H23N3O2/c1-2-7-14-10(16)4-8-15-11(17)9-12(13)5-3-6-12/h2-9,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyGPCCHMPMIJUWMS-UHFFFAOYSA-N
XLogP0.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-pentylacetamide
CID 64684132
2-(1-aminocyclobutyl)-N-(2-aminoethyl)acetamide
CID 79853853
1-amino-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301742
3-[[2-(1-aminocyclopentyl)acetyl]amino]-N,N-dimethylpropanamide
CID 64684460
2-(1-aminocyclobutyl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83112019
2-(1-aminocyclobutyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 79851894
2-[[2-(1-aminocyclohexyl)acetyl]amino]-N-propylpropanamide
CID 64684814
2-(1-aminocyclopentyl)-N-(2-methylsulfanylethyl)acetamide
CID 64679274
2-(1-aminocyclobutyl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 79854561
6-[[2-(1-aminocyclobutyl)acetyl]amino]-4-methylhexanoic acid
CID 79853883
2-(1-aminocyclobutyl)-N-(7-methyloctyl)acetamide
CID 79854287
2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide
CID 115739037

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide (CID 79853865) is 3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide is CCCNC(=O)CCNC(=O)CC1(N)CCC1.
What is the InChIKey of 3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide?
The InChIKey is GPCCHMPMIJUWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-7-14-10(16)4-8-15-11(17)9-12(13)5-3-6-12/h2-9,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide?
3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide has a molecular weight of 241.33 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-aminocyclobutyl)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 79853865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).