tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate

C14H24N2O5 — CID 11666568

IUPACtert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(19)15-8-5-4-6-11(17)16-10-7-9-20-12(10)18/h10H,4-9H2,1-3H3,(H,15,19)(H,16,17)/t10-/m0/s1
InChIKeyHQFPOAPUXNIJNH-JTQLQIEISA-N
MW300.35 g/mol
LogP1.11
Rot. Bonds6

About tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate

tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate (PubChem CID 11666568) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate
PubChem CID11666568
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Nametert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(19)15-8-5-4-6-11(17)16-10-7-9-20-12(10)18/h10H,4-9H2,1-3H3,(H,15,19)(H,16,17)/t10-/m0/s1
InChIKeyHQFPOAPUXNIJNH-JTQLQIEISA-N
XLogP1.11
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate (CID 11666568) is tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate is CC(C)(C)OC(=O)NCCCCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate?
The InChIKey is HQFPOAPUXNIJNH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2,3)21-13(19)15-8-5-4-6-11(17)16-10-7-9-20-12(10)18/h10H,4-9H2,1-3H3,(H,15,19)(H,16,17)/t10-/m0/s1.
What are the key properties of tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate?
tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate has a molecular weight of 300.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate is sourced from PubChem (CID 11666568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).