benzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate

C15H19N3O5 — CID 22824715

IUPACbenzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate
SMILESCOC1(N(C(=O)OCc2ccccc2)C(=O)[C@@H](C)N)CNC1=O
InChIInChI=1S/C15H19N3O5/c1-10(16)12(19)18(15(22-2)9-17-13(15)20)14(21)23-8-11-6-4-3-5-7-11/h3-7,10H,8-9,16H2,1-2H3,(H,17,20)/t10-,15?/m1/s1
InChIKeyDKXDAPXJPKZOEH-INHVJJQHSA-N
MW321.33 g/mol
LogP-0.03
Rot. Bonds5

About benzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate

benzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate (PubChem CID 22824715) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is benzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate
PubChem CID22824715
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Namebenzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate
SMILESCOC1(N(C(=O)OCc2ccccc2)C(=O)[C@@H](C)N)CNC1=O
InChIInChI=1S/C15H19N3O5/c1-10(16)12(19)18(15(22-2)9-17-13(15)20)14(21)23-8-11-6-4-3-5-7-11/h3-7,10H,8-9,16H2,1-2H3,(H,17,20)/t10-,15?/m1/s1
InChIKeyDKXDAPXJPKZOEH-INHVJJQHSA-N
XLogP-0.03
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate?
The IUPAC name of benzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate (CID 22824715) is benzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate?
The canonical SMILES for benzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate is COC1(N(C(=O)OCc2ccccc2)C(=O)[C@@H](C)N)CNC1=O.
What is the InChIKey of benzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate?
The InChIKey is DKXDAPXJPKZOEH-INHVJJQHSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-10(16)12(19)18(15(22-2)9-17-13(15)20)14(21)23-8-11-6-4-3-5-7-11/h3-7,10H,8-9,16H2,1-2H3,(H,17,20)/t10-,15?/m1/s1.
What are the key properties of benzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate?
benzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate has a molecular weight of 321.33 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-2-aminopropanoyl]-N-(3-methoxy-2-oxoazetidin-3-yl)carbamate is sourced from PubChem (CID 22824715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).