tert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate

C14H26N2O3 — CID 11659068

IUPACtert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate
SMILESC/C(=C/[C@H](C)NC(=O)OC(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C14H26N2O3/c1-9(2)15-12(17)10(3)8-11(4)16-13(18)19-14(5,6)7/h8-9,11H,1-7H3,(H,15,17)(H,16,18)/b10-8-/t11-/m0/s1
InChIKeySMOXRGINXFGEII-IEHMKBBKSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds4

About tert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate

tert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate (PubChem CID 11659068) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate
PubChem CID11659068
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate
SMILESC/C(=C/[C@H](C)NC(=O)OC(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C14H26N2O3/c1-9(2)15-12(17)10(3)8-11(4)16-13(18)19-14(5,6)7/h8-9,11H,1-7H3,(H,15,17)(H,16,18)/b10-8-/t11-/m0/s1
InChIKeySMOXRGINXFGEII-IEHMKBBKSA-N
XLogP2.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate (CID 11659068) is tert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate is C/C(=C/[C@H](C)NC(=O)OC(C)(C)C)C(=O)NC(C)C.
What is the InChIKey of tert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate?
The InChIKey is SMOXRGINXFGEII-IEHMKBBKSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)15-12(17)10(3)8-11(4)16-13(18)19-14(5,6)7/h8-9,11H,1-7H3,(H,15,17)(H,16,18)/b10-8-/t11-/m0/s1.
What are the key properties of tert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate?
tert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z,2S)-4-methyl-5-oxo-5-(propan-2-ylamino)pent-3-en-2-yl]carbamate is sourced from PubChem (CID 11659068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).