3-(1-carboxyethyl)azetidine-1-carboxylic acid

C7H11NO4 — CID 123935097

IUPAC3-(1-carboxyethyl)azetidine-1-carboxylic acid
SMILESCC(C(=O)O)C1CN(C(=O)O)C1
InChIInChI=1S/C7H11NO4/c1-4(6(9)10)5-2-8(3-5)7(11)12/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyHCMXHAFALNJOLP-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.32
Rot. Bonds2

About 3-(1-carboxyethyl)azetidine-1-carboxylic acid

3-(1-carboxyethyl)azetidine-1-carboxylic acid (PubChem CID 123935097) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-(1-carboxyethyl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-carboxyethyl)azetidine-1-carboxylic acid
PubChem CID123935097
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name3-(1-carboxyethyl)azetidine-1-carboxylic acid
SMILESCC(C(=O)O)C1CN(C(=O)O)C1
InChIInChI=1S/C7H11NO4/c1-4(6(9)10)5-2-8(3-5)7(11)12/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyHCMXHAFALNJOLP-UHFFFAOYSA-N
XLogP0.32
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid
CID 104892415
3-(1-cyanoethyl)azetidine-1-carboxylic acid
CID 175336412
2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681625
2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid
CID 116681516
2-[1-(4-aminopentanoyl)azetidin-3-yl]propanoic acid
CID 116682380
2-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid
CID 103019292
2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681621
2-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682729
2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683653
2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid
CID 116681220
2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid
CID 116682344
2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid
CID 103019290

Frequently Asked Questions

What is the IUPAC name of 3-(1-carboxyethyl)azetidine-1-carboxylic acid?
The IUPAC name of 3-(1-carboxyethyl)azetidine-1-carboxylic acid (CID 123935097) is 3-(1-carboxyethyl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(1-carboxyethyl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(1-carboxyethyl)azetidine-1-carboxylic acid is CC(C(=O)O)C1CN(C(=O)O)C1.
What is the InChIKey of 3-(1-carboxyethyl)azetidine-1-carboxylic acid?
The InChIKey is HCMXHAFALNJOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4(6(9)10)5-2-8(3-5)7(11)12/h4-5H,2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-(1-carboxyethyl)azetidine-1-carboxylic acid?
3-(1-carboxyethyl)azetidine-1-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-carboxyethyl)azetidine-1-carboxylic acid is sourced from PubChem (CID 123935097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).