tert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate

C11H21NO3 — CID 170029458

IUPACtert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate
SMILESC/C=C\[C@@H](COC)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-7-9(8-14-5)12-10(13)15-11(2,3)4/h6-7,9H,8H2,1-5H3,(H,12,13)/b7-6-/t9-/m0/s1
InChIKeyGHDNGTRLMICHNK-NMTCXDENSA-N
MW215.29 g/mol
LogP2.10
Rot. Bonds4

About tert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate

tert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate (PubChem CID 170029458) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate
PubChem CID170029458
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate
SMILESC/C=C\[C@@H](COC)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-7-9(8-14-5)12-10(13)15-11(2,3)4/h6-7,9H,8H2,1-5H3,(H,12,13)/b7-6-/t9-/m0/s1
InChIKeyGHDNGTRLMICHNK-NMTCXDENSA-N
XLogP2.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate (CID 170029458) is tert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate is C/C=C\[C@@H](COC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate?
The InChIKey is GHDNGTRLMICHNK-NMTCXDENSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-7-9(8-14-5)12-10(13)15-11(2,3)4/h6-7,9H,8H2,1-5H3,(H,12,13)/b7-6-/t9-/m0/s1.
What are the key properties of tert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate?
tert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z,2S)-1-methoxypent-3-en-2-yl]carbamate is sourced from PubChem (CID 170029458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).