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

C8H13NO4 — CID 145117492

IUPAC1-(3-carboxypropyl)azetidine-2-carboxylic acid
SMILESO=C(O)CCCN1CCC1C(=O)O
InChIInChI=1S/C8H13NO4/c10-7(11)2-1-4-9-5-3-6(9)8(12)13/h6H,1-5H2,(H,10,11)(H,12,13)
InChIKeyLYDSSXLYSWRISB-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.01
Rot. Bonds5

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

1-(3-carboxypropyl)azetidine-2-carboxylic acid (PubChem CID 145117492) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(3-carboxypropyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-carboxypropyl)azetidine-2-carboxylic acid
PubChem CID145117492
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(3-carboxypropyl)azetidine-2-carboxylic acid
SMILESO=C(O)CCCN1CCC1C(=O)O
InChIInChI=1S/C8H13NO4/c10-7(11)2-1-4-9-5-3-6(9)8(12)13/h6H,1-5H2,(H,10,11)(H,12,13)
InChIKeyLYDSSXLYSWRISB-UHFFFAOYSA-N
XLogP0.01
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid
CID 90757366
1-nonylpyrrolidine-2-carboxylic acid
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1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
4-(2-aminopiperidin-1-yl)butanoic acid
CID 77220070
1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid
CID 150619819
CID 172742310
CID 172742310
(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
CID 20637841
1-(3-methylsulfanylpropyl)pyrrolidine-2-carboxylic acid
CID 65056170

Frequently Asked Questions

What is the IUPAC name of 1-(3-carboxypropyl)azetidine-2-carboxylic acid?
The IUPAC name of 1-(3-carboxypropyl)azetidine-2-carboxylic acid (CID 145117492) is 1-(3-carboxypropyl)azetidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-carboxypropyl)azetidine-2-carboxylic acid?
The canonical SMILES for 1-(3-carboxypropyl)azetidine-2-carboxylic acid is O=C(O)CCCN1CCC1C(=O)O.
What is the InChIKey of 1-(3-carboxypropyl)azetidine-2-carboxylic acid?
The InChIKey is LYDSSXLYSWRISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c10-7(11)2-1-4-9-5-3-6(9)8(12)13/h6H,1-5H2,(H,10,11)(H,12,13).
What are the key properties of 1-(3-carboxypropyl)azetidine-2-carboxylic acid?
1-(3-carboxypropyl)azetidine-2-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carboxypropyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 145117492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).