2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid

C9H15NO2 — CID 64618131

IUPAC2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid
SMILESC=CC(C)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H15NO2/c1-3-7(2)10-5-8(6-10)4-9(11)12/h3,7-8H,1,4-6H2,2H3,(H,11,12)
InChIKeyDHMNRSCUGBIAGO-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.97
Rot. Bonds4

About 2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid

2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid (PubChem CID 64618131) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid
PubChem CID64618131
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid
SMILESC=CC(C)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H15NO2/c1-3-7(2)10-5-8(6-10)4-9(11)12/h3,7-8H,1,4-6H2,2H3,(H,11,12)
InChIKeyDHMNRSCUGBIAGO-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid
CID 114866965
2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid
CID 64616494
(3R,4S)-1-but-3-en-2-ylpyrrolidine-3,4-diol
CID 79419761
2-(1-methylsulfinylazetidin-3-yl)acetic acid
CID 127015602
2-(1-octan-2-ylazetidin-3-yl)acetic acid
CID 65069289
2-[1-[1-(2,5-dimethylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069876
1-but-3-en-2-yl-3-ethylpyrrolidine
CID 130978482
2-[1-[1-(2-hydroxyphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069827
2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83989664
1-but-3-en-2-yl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 130632379
2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid
CID 64605561
2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069636

Frequently Asked Questions

What is the IUPAC name of 2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid?
The IUPAC name of 2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid (CID 64618131) is 2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid is C=CC(C)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid?
The InChIKey is DHMNRSCUGBIAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-7(2)10-5-8(6-10)4-9(11)12/h3,7-8H,1,4-6H2,2H3,(H,11,12).
What are the key properties of 2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid?
2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid has a molecular weight of 169.22 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-3-en-2-ylazetidin-3-yl)acetic acid is sourced from PubChem (CID 64618131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).