(2R)-1-propan-2-ylazetidine-2-carboxylic acid

C7H13NO2 — CID 54252462

IUPAC(2R)-1-propan-2-ylazetidine-2-carboxylic acid
SMILESCC(C)N1CC[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO2/c1-5(2)8-4-3-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKeyQXSMFOUJZBBPIV-ZCFIWIBFSA-N
MW143.19 g/mol
LogP0.55
Rot. Bonds2

About (2R)-1-propan-2-ylazetidine-2-carboxylic acid

(2R)-1-propan-2-ylazetidine-2-carboxylic acid (PubChem CID 54252462) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2R)-1-propan-2-ylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-propan-2-ylazetidine-2-carboxylic acid
PubChem CID54252462
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2R)-1-propan-2-ylazetidine-2-carboxylic acid
SMILESCC(C)N1CC[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO2/c1-5(2)8-4-3-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKeyQXSMFOUJZBBPIV-ZCFIWIBFSA-N
XLogP0.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-propan-2-ylazetidine-2-carboxylic acid?
The IUPAC name of (2R)-1-propan-2-ylazetidine-2-carboxylic acid (CID 54252462) is (2R)-1-propan-2-ylazetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-propan-2-ylazetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-propan-2-ylazetidine-2-carboxylic acid is CC(C)N1CC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-propan-2-ylazetidine-2-carboxylic acid?
The InChIKey is QXSMFOUJZBBPIV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)8-4-3-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-1-propan-2-ylazetidine-2-carboxylic acid?
(2R)-1-propan-2-ylazetidine-2-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-propan-2-ylazetidine-2-carboxylic acid is sourced from PubChem (CID 54252462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).