2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid

C12H20N2O4 — CID 102658307

IUPAC2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C2(N)CCCC2)C1
InChIInChI=1S/C12H20N2O4/c1-11(18-6-9(15)16)7-14(8-11)10(17)12(13)4-2-3-5-12/h2-8,13H2,1H3,(H,15,16)
InChIKeyJTFGKDMOUCTEOK-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.04
Rot. Bonds4

About 2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658307) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658307
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C2(N)CCCC2)C1
InChIInChI=1S/C12H20N2O4/c1-11(18-6-9(15)16)7-14(8-11)10(17)12(13)4-2-3-5-12/h2-8,13H2,1H3,(H,15,16)
InChIKeyJTFGKDMOUCTEOK-UHFFFAOYSA-N
XLogP-0.04
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657283
(1-aminocyclopentyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392358
2-[3-methyl-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]oxyacetic acid
CID 102657306
2-[1-(7-aminoheptanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658134
2-[1-(6-aminohexanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658222
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659707
2-[1-[2-(azetidin-3-yl)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658206
2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657218
2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658238
2-[1-[2-(4-hydroxyphenyl)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657616
2-[1-(2-amino-3,3-dimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658290
(1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219940

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102658307) is 2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)C2(N)CCCC2)C1.
What is the InChIKey of 2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is JTFGKDMOUCTEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-11(18-6-9(15)16)7-14(8-11)10(17)12(13)4-2-3-5-12/h2-8,13H2,1H3,(H,15,16).
What are the key properties of 2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 256.30 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).