1-(3-hydroxypropyl)azetidine-2-carboxylic acid

C7H13NO3 — CID 101409750

IUPAC1-(3-hydroxypropyl)azetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1CCCO
InChIInChI=1S/C7H13NO3/c9-5-1-3-8-4-2-6(8)7(10)11/h6,9H,1-5H2,(H,10,11)
InChIKeyROVDTLLPFWAZJC-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.47
Rot. Bonds4

About 1-(3-hydroxypropyl)azetidine-2-carboxylic acid

1-(3-hydroxypropyl)azetidine-2-carboxylic acid (PubChem CID 101409750) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxypropyl)azetidine-2-carboxylic acid
PubChem CID101409750
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name1-(3-hydroxypropyl)azetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1CCCO
InChIInChI=1S/C7H13NO3/c9-5-1-3-8-4-2-6(8)7(10)11/h6,9H,1-5H2,(H,10,11)
InChIKeyROVDTLLPFWAZJC-UHFFFAOYSA-N
XLogP-0.47
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Propan-2-yl)azetidine-2-carboxylic acid
CID 282400
(2R)-1-methylazetidine-2-carboxylic acid
CID 53793599
(2R)-1-propylazetidine-2-carboxylic acid
CID 54144027
(2R)-1-(propan-2-yl)azetidine-2-carboxylic acid
CID 54252462
2-Azetidinecarboxylic acid, 1-(3-hydroxypropyl)-, (2S)-
CID 131231389
(2S)-1-(2-fluoroethyl)azetidine-2-carboxylic acid
CID 122170283
1-(2-Fluoroethyl)azetidine-2-carboxylic acid
CID 137706323
3-Fluoro-1-propan-2-ylazetidine-2-carboxylic acid
CID 139341636
1-Ethyl-3-fluoroazetidine-2-carboxylic acid
CID 155049748
Methyl 1-(2,2-difluoro-3-hydroxypropyl)azetidine-2-carboxylate
CID 106172940
1-Methylazetidine-2-carboxylic acid
CID 312880
1-cyclopropylazetidine-2-carboxylic Acid
CID 4385128

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)azetidine-2-carboxylic acid?
The IUPAC name of 1-(3-hydroxypropyl)azetidine-2-carboxylic acid (CID 101409750) is 1-(3-hydroxypropyl)azetidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxypropyl)azetidine-2-carboxylic acid?
The canonical SMILES for 1-(3-hydroxypropyl)azetidine-2-carboxylic acid is O=C(O)C1CCN1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)azetidine-2-carboxylic acid?
The InChIKey is ROVDTLLPFWAZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-5-1-3-8-4-2-6(8)7(10)11/h6,9H,1-5H2,(H,10,11).
What are the key properties of 1-(3-hydroxypropyl)azetidine-2-carboxylic acid?
1-(3-hydroxypropyl)azetidine-2-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 101409750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).