benzyl N-(3-oxopropyl)carbamate

C11H13NO3 — CID 10398106

IUPACbenzyl N-(3-oxopropyl)carbamate
SMILESO=CCCNC(=O)OCc1ccccc1
InChIInChI=1S/C11H13NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,8H,4,7,9H2,(H,12,14)
InChIKeyPQMOZOQTXKMYSK-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.50
Rot. Bonds5

About benzyl N-(3-oxopropyl)carbamate

benzyl N-(3-oxopropyl)carbamate (PubChem CID 10398106) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is benzyl N-(3-oxopropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-oxopropyl)carbamate
PubChem CID10398106
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namebenzyl N-(3-oxopropyl)carbamate
SMILESO=CCCNC(=O)OCc1ccccc1
InChIInChI=1S/C11H13NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,8H,4,7,9H2,(H,12,14)
InChIKeyPQMOZOQTXKMYSK-UHFFFAOYSA-N
XLogP1.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Benzyloxycarbonylglycine
CID 14349
N-carbobenzyloxyalanine
CID 736104
Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate
CID 697922
4-(((Benzyloxy)carbonyl)amino)butanoic acid
CID 21184
Benzyl Cyanomethylcarbamate
CID 244143
Benzyl piperazine-1-carboxylate
CID 643495
6-(((Phenylmethoxy)carbonyl)amino)hexanoic acid
CID 74758
Benzyl (2-oxopropyl)carbamate
CID 22747857
N-Cbz-d-alanine
CID 70832
benzyl N-(2-hydroxyethyl)carbamate
CID 280458
benzyl N-methylcarbamate
CID 562265
Glycine, N-((phenylmethoxy)carbonyl)-, ethenyl ester
CID 47309

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-oxopropyl)carbamate?
The IUPAC name of benzyl N-(3-oxopropyl)carbamate (CID 10398106) is benzyl N-(3-oxopropyl)carbamate.
What is the SMILES notation for benzyl N-(3-oxopropyl)carbamate?
The canonical SMILES for benzyl N-(3-oxopropyl)carbamate is O=CCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-oxopropyl)carbamate?
The InChIKey is PQMOZOQTXKMYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,8H,4,7,9H2,(H,12,14).
What are the key properties of benzyl N-(3-oxopropyl)carbamate?
benzyl N-(3-oxopropyl)carbamate has a molecular weight of 207.23 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-oxopropyl)carbamate is sourced from PubChem (CID 10398106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).