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

C9H17NO2 — CID 59456880

IUPAC2-[1-(2-methylpropyl)azetidin-3-yl]acetic acid
SMILESCC(C)CN1CC(CC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-7(2)4-10-5-8(6-10)3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyBNOXTTZLSRIPGM-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.05
Rot. Bonds4

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

2-[1-(2-methylpropyl)azetidin-3-yl]acetic acid (PubChem CID 59456880) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)azetidin-3-yl]acetic acid
PubChem CID59456880
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[1-(2-methylpropyl)azetidin-3-yl]acetic acid
SMILESCC(C)CN1CC(CC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-7(2)4-10-5-8(6-10)3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyBNOXTTZLSRIPGM-UHFFFAOYSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Butyric acid, 4-(diethylamino)-
CID 44844
2-(1-Methylazetidin-3-yl)acetic acid hydrochloride
CID 121553029
Ethyl-Dimethyl-(4-Oxidanyl-4-Oxidanylidene-Butyl)azanium
CID 51347809
4-(Dipropylamino)butanoic acid
CID 13735415
4-(Dimethylamino)-3-methylbutanoic acid hydrochloride
CID 137838643
2-(1-Ethylazetidin-3-yl)acetic acid hydrochloride
CID 170915600
3-Carboxypropyl(triethyl)azanium
CID 15278121
CID 18954187
CID 18954187
2-(1-Methylazetidin-3-yl)acetic acid
CID 58669481
2-(3-Fluoro-1-propan-2-ylazetidin-3-yl)acetic acid
CID 134533991
2-(1-Methylazetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 155163074
2-(1-Tert-butyl-3-fluoroazetidin-3-yl)acetic acid
CID 162475432

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylpropyl)azetidin-3-yl]acetic acid (CID 59456880) is 2-[1-(2-methylpropyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylpropyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylpropyl)azetidin-3-yl]acetic acid is CC(C)CN1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(2-methylpropyl)azetidin-3-yl]acetic acid?
The InChIKey is BNOXTTZLSRIPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)4-10-5-8(6-10)3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-[1-(2-methylpropyl)azetidin-3-yl]acetic acid?
2-[1-(2-methylpropyl)azetidin-3-yl]acetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 59456880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).