4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C12H20N2O3 — CID 60809874

IUPAC4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC(=O)N2CCC2)CC1
InChIInChI=1S/C12H20N2O3/c15-11(14-6-1-7-14)8-13-10-4-2-9(3-5-10)12(16)17/h9-10,13H,1-8H2,(H,16,17)
InChIKeyZYPMGZCUNVQIGP-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds4

About 4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60809874) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60809874
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCC(=O)N2CCC2)CC1
InChIInChI=1S/C12H20N2O3/c15-11(14-6-1-7-14)8-13-10-4-2-9(3-5-10)12(16)17/h9-10,13H,1-8H2,(H,16,17)
InChIKeyZYPMGZCUNVQIGP-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61156810
1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
CID 60977352
1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone
CID 43610166
4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidine-1-carboxamide
CID 113352679
1-(azepan-1-yl)-2-[(1,1-dioxothian-4-yl)amino]ethanone
CID 43615246
2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide
CID 54873492
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615447
2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 103262606
4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60810212
2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 61462383
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695761

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 60809874) is 4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCC(=O)N2CCC2)CC1.
What is the InChIKey of 4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZYPMGZCUNVQIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(14-6-1-7-14)8-13-10-4-2-9(3-5-10)12(16)17/h9-10,13H,1-8H2,(H,16,17).
What are the key properties of 4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).