(2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid

C15H17NO5 — CID 18600863

IUPAC(2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid
SMILESCC1([C@@H]2C(=O)N(Cc3ccccc3)[C@@H]2C(=O)O)OCCO1
InChIInChI=1S/C15H17NO5/c1-15(20-7-8-21-15)11-12(14(18)19)16(13(11)17)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyGULHIMVDPIEAMC-RYUDHWBXSA-N
MW291.30 g/mol
LogP0.86
Rot. Bonds4

About (2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid

(2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid (PubChem CID 18600863) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is (2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid
PubChem CID18600863
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid
SMILESCC1([C@@H]2C(=O)N(Cc3ccccc3)[C@@H]2C(=O)O)OCCO1
InChIInChI=1S/C15H17NO5/c1-15(20-7-8-21-15)11-12(14(18)19)16(13(11)17)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyGULHIMVDPIEAMC-RYUDHWBXSA-N
XLogP0.86
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-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

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid (CID 18600863) is (2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid is CC1([C@@H]2C(=O)N(Cc3ccccc3)[C@@H]2C(=O)O)OCCO1.
What is the InChIKey of (2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid?
The InChIKey is GULHIMVDPIEAMC-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H17NO5/c1-15(20-7-8-21-15)11-12(14(18)19)16(13(11)17)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,18,19)/t11-,12-/m0/s1.
What are the key properties of (2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid?
(2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-benzyl-3-(2-methyl-1,3-dioxolan-2-yl)-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 18600863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).