tert-butyl N-(3-oxopentyl)carbamate

C10H19NO3 — CID 89229060

IUPACtert-butyl N-(3-oxopentyl)carbamate
SMILESCCC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-8(12)6-7-11-9(13)14-10(2,3)4/h5-7H2,1-4H3,(H,11,13)
InChIKeyNTXCZTBJMRARGW-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.88
Rot. Bonds4

About tert-butyl N-(3-oxopentyl)carbamate

tert-butyl N-(3-oxopentyl)carbamate (PubChem CID 89229060) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-(3-oxopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-oxopentyl)carbamate
PubChem CID89229060
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-(3-oxopentyl)carbamate
SMILESCCC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-8(12)6-7-11-9(13)14-10(2,3)4/h5-7H2,1-4H3,(H,11,13)
InChIKeyNTXCZTBJMRARGW-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-oxopentyl)carbamate?
The IUPAC name of tert-butyl N-(3-oxopentyl)carbamate (CID 89229060) is tert-butyl N-(3-oxopentyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-oxopentyl)carbamate?
The canonical SMILES for tert-butyl N-(3-oxopentyl)carbamate is CCC(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-oxopentyl)carbamate?
The InChIKey is NTXCZTBJMRARGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-8(12)6-7-11-9(13)14-10(2,3)4/h5-7H2,1-4H3,(H,11,13).
What are the key properties of tert-butyl N-(3-oxopentyl)carbamate?
tert-butyl N-(3-oxopentyl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-oxopentyl)carbamate is sourced from PubChem (CID 89229060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).