benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate

C15H17N3O6 — CID 67174945

IUPACbenzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate
SMILESNC(=O)CC[C@H](N)C(=O)N1C(=O)O[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C15H17N3O6/c16-10(6-7-11(17)19)12(20)18-13(24-15(18)22)14(21)23-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8,16H2,(H2,17,19)/t10-,13-/m0/s1
InChIKeyAOJVPJIASPIAFF-GWCFXTLKSA-N
MW335.32 g/mol
LogP-0.37
Rot. Bonds7

About benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate

benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate (PubChem CID 67174945) has the molecular formula C15H17N3O6 and a molecular weight of 335.32 g/mol. Its IUPAC name is benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate
PubChem CID67174945
Molecular FormulaC15H17N3O6
Molecular Weight335.32 g/mol
Exact Mass335.11
IUPAC Namebenzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate
SMILESNC(=O)CC[C@H](N)C(=O)N1C(=O)O[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C15H17N3O6/c16-10(6-7-11(17)19)12(20)18-13(24-15(18)22)14(21)23-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8,16H2,(H2,17,19)/t10-,13-/m0/s1
InChIKeyAOJVPJIASPIAFF-GWCFXTLKSA-N
XLogP-0.37
TPSA142.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate 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

benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate
CID 14443169
benzyl (2S)-2-amino-5-[(3S,4R)-3,4-diaminopyrrolidin-1-yl]-5-oxopentanoate
CID 70890702
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
(4S)-4-amino-5-phenylmethoxypentanamide
CID 90463454
4-O-benzyl 3-O-ethyl 5-methyl-2-oxo-1,3-oxazolidine-3,4-dicarboxylate
CID 18352599
benzyl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 14420417
(4R)-4-amino-5-oxo-5-phenylmethoxypentanoate
CID 53249735
benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate
CID 11975613
sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride
CID 173433388
dibenzyl 1,3,4-oxadiazolidine-2,5-dicarboxylate
CID 166712789
benzyl (2S)-2-amino-4-bromobutanoate
CID 67264849
benzyl 2-amino-4-bromobutanoate
CID 18467389

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate?
The IUPAC name of benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate (CID 67174945) is benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate.
What is the SMILES notation for benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate?
The canonical SMILES for benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate is NC(=O)CC[C@H](N)C(=O)N1C(=O)O[C@H]1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate?
The InChIKey is AOJVPJIASPIAFF-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H17N3O6/c16-10(6-7-11(17)19)12(20)18-13(24-15(18)22)14(21)23-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8,16H2,(H2,17,19)/t10-,13-/m0/s1.
What are the key properties of benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate?
benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate has a molecular weight of 335.32 g/mol, XLogP of -0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate is sourced from PubChem (CID 67174945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).