1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid

C14H17NO2 — CID 89076293

IUPAC1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid
SMILESC=C(C)c1ccc(CN2CC(C(=O)O)C2)cc1
InChIInChI=1S/C14H17NO2/c1-10(2)12-5-3-11(4-6-12)7-15-8-13(9-15)14(16)17/h3-6,13H,1,7-9H2,2H3,(H,16,17)
InChIKeyKYNZOBBCIKYJAO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.24
Rot. Bonds4

About 1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid

1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid (PubChem CID 89076293) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid
PubChem CID89076293
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid
SMILESC=C(C)c1ccc(CN2CC(C(=O)O)C2)cc1
InChIInChI=1S/C14H17NO2/c1-10(2)12-5-3-11(4-6-12)7-15-8-13(9-15)14(16)17/h3-6,13H,1,7-9H2,2H3,(H,16,17)
InChIKeyKYNZOBBCIKYJAO-UHFFFAOYSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(dimethylamino)phenyl]methyl]azetidine-3-carboxylic acid
CID 65072336
1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 59451795
1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
CID 59451803
(2R)-1-benzyl-2,6-dimethyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
CID 144920787
methane;1-[[4-(2-phenylacetyl)phenyl]methyl]azetidine-3-carboxylic acid;1-[[4-(2-phenylethyl)phenyl]methyl]azetidine-3-carboxylic acid
CID 159528463
1-benzylazetidine;1-benzylazetidine-3-carboxylic acid
CID 161198562
1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 104823904
1-[(3-chloro-5-methylphenyl)methyl]azetidine-3-carboxylic acid
CID 122046736
1-[[4-[(4-benzylbenzoyl)amino]phenyl]methyl]azetidine-3-carboxylic acid
CID 67081474
1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 122046690
1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
CID 145147201
1-[(3,5-dichlorophenyl)methyl]azetidine-3-carboxylic acid
CID 65071689

Frequently Asked Questions

What is the IUPAC name of 1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid (CID 89076293) is 1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid is C=C(C)c1ccc(CN2CC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid?
The InChIKey is KYNZOBBCIKYJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)12-5-3-11(4-6-12)7-15-8-13(9-15)14(16)17/h3-6,13H,1,7-9H2,2H3,(H,16,17).
What are the key properties of 1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid?
1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid has a molecular weight of 231.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 89076293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).