(2S)-1-acetylazetidine-2-carboxylic acid

C6H9NO3 — CID 55300456

IUPAC(2S)-1-acetylazetidine-2-carboxylic acid
SMILESCC(=O)N1CC[C@H]1C(=O)O
InChIInChI=1S/C6H9NO3/c1-4(8)7-3-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyKGMNLCHUEVFDHL-YFKPBYRVSA-N
MW143.14 g/mol
LogP-0.31
Rot. Bonds1

About (2S)-1-acetylazetidine-2-carboxylic acid

(2S)-1-acetylazetidine-2-carboxylic acid (PubChem CID 55300456) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2S)-1-acetylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-acetylazetidine-2-carboxylic acid
PubChem CID55300456
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2S)-1-acetylazetidine-2-carboxylic acid
SMILESCC(=O)N1CC[C@H]1C(=O)O
InChIInChI=1S/C6H9NO3/c1-4(8)7-3-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyKGMNLCHUEVFDHL-YFKPBYRVSA-N
XLogP-0.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetylazetidine-2-carboxylic acid?
The IUPAC name of (2S)-1-acetylazetidine-2-carboxylic acid (CID 55300456) is (2S)-1-acetylazetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-acetylazetidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-acetylazetidine-2-carboxylic acid is CC(=O)N1CC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-acetylazetidine-2-carboxylic acid?
The InChIKey is KGMNLCHUEVFDHL-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4(8)7-3-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-1-acetylazetidine-2-carboxylic acid?
(2S)-1-acetylazetidine-2-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetylazetidine-2-carboxylic acid is sourced from PubChem (CID 55300456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).