2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid

C12H19NO3 — CID 107175580

IUPAC2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid
SMILESCC1CCCC1C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C12H19NO3/c1-8-3-2-4-10(8)12(16)13-6-9(7-13)5-11(14)15/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeySMTMDPSUWZMDNV-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.36
Rot. Bonds3

About 2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid

2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid (PubChem CID 107175580) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid
PubChem CID107175580
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid
SMILESCC1CCCC1C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C12H19NO3/c1-8-3-2-4-10(8)12(16)13-6-9(7-13)5-11(14)15/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeySMTMDPSUWZMDNV-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylcyclopentanecarbonyl)azetidine-3-carboxylic acid
CID 107175545
2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid
CID 107181189
2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978927
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone
CID 107184501
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cyclopentane-1-carboxylic acid
CID 103979074
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methylcyclopentyl)methanone
CID 103282581
2-[1-[(2-methylcyclopentyl)methylcarbamoyl]pyrrolidin-3-yl]acetic acid
CID 107420016
2-[4-(2-methylcyclopentanecarbonyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 107175741
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107184264
(2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112629284
2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64616809

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid (CID 107175580) is 2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid is CC1CCCC1C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid?
The InChIKey is SMTMDPSUWZMDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-3-2-4-10(8)12(16)13-6-9(7-13)5-11(14)15/h8-10H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid?
2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid has a molecular weight of 225.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107175580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).