1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid

C14H19NO2 — CID 129371946

IUPAC1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid
SMILESC[C@@H](CCN1CC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(12-5-3-2-4-6-12)7-8-15-9-13(10-15)14(16)17/h2-6,11,13H,7-10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyRDPRIBJENXBVQM-NSHDSACASA-N
MW233.31 g/mol
LogP2.20
Rot. Bonds5

About 1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid

1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid (PubChem CID 129371946) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid
PubChem CID129371946
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid
SMILESC[C@@H](CCN1CC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(12-5-3-2-4-6-12)7-8-15-9-13(10-15)14(16)17/h2-6,11,13H,7-10H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyRDPRIBJENXBVQM-NSHDSACASA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371947
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid
CID 122046799
2-[4-(3-phenylbutyl)piperazin-1-yl]propanoic acid
CID 65062408
1-(3-phenylbutyl)piperidine-2-carboxylic acid
CID 65054037
diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium
CID 162027524
1-(1-phenylethyl)azetidine-3-carboxylic acid
CID 65071589
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
benzyl 1-(3-phenylbutyl)piperidine-4-carboxylate
CID 142003970
1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid
CID 122046852
2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid
CID 122043222
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid (CID 129371946) is 1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid is C[C@@H](CCN1CC(C(=O)O)C1)c1ccccc1.
What is the InChIKey of 1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid?
The InChIKey is RDPRIBJENXBVQM-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(12-5-3-2-4-6-12)7-8-15-9-13(10-15)14(16)17/h2-6,11,13H,7-10H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid?
1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 129371946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).