1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid

C12H20N2O3 — CID 79308679

IUPAC1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid
SMILESNC1(CC(=O)N2CC(C(=O)O)C2)CCCCC1
InChIInChI=1S/C12H20N2O3/c13-12(4-2-1-3-5-12)6-10(15)14-7-9(8-14)11(16)17/h9H,1-8,13H2,(H,16,17)
InChIKeyYSHIOJNKJFORRZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.58
Rot. Bonds3

About 1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid

1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid (PubChem CID 79308679) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid
PubChem CID79308679
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid
SMILESNC1(CC(=O)N2CC(C(=O)O)C2)CCCCC1
InChIInChI=1S/C12H20N2O3/c13-12(4-2-1-3-5-12)6-10(15)14-7-9(8-14)11(16)17/h9H,1-8,13H2,(H,16,17)
InChIKeyYSHIOJNKJFORRZ-UHFFFAOYSA-N
XLogP0.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107217667
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
(3S,4S)-1-[2-(1-aminocyclobutyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085644
1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide
CID 114081869
2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79854762
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64678060
2-(1-aminocyclobutyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 79851326
1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid
CID 115918559
1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid
CID 103555656
1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
CID 64683862
2-(1-aminocyclobutyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 79854942

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid (CID 79308679) is 1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid is NC1(CC(=O)N2CC(C(=O)O)C2)CCCCC1.
What is the InChIKey of 1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid?
The InChIKey is YSHIOJNKJFORRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-12(4-2-1-3-5-12)6-10(15)14-7-9(8-14)11(16)17/h9H,1-8,13H2,(H,16,17).
What are the key properties of 1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid?
1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 79308679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).