tert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate

C14H26N2O4 — CID 58619944

IUPACtert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate
SMILESCC(C)/C=C/CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-10(2)7-6-8-15-12(18)11(9-17)16-13(19)20-14(3,4)5/h6-7,10-11,17H,8-9H2,1-5H3,(H,15,18)(H,16,19)/b7-6+/t11-/m1/s1
InChIKeyUOTJXFDVFCNVNT-XUIVZRPNSA-N
MW286.37 g/mol
LogP1.20
Rot. Bonds6

About tert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 58619944) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID58619944
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate
SMILESCC(C)/C=C/CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-10(2)7-6-8-15-12(18)11(9-17)16-13(19)20-14(3,4)5/h6-7,10-11,17H,8-9H2,1-5H3,(H,15,18)(H,16,19)/b7-6+/t11-/m1/s1
InChIKeyUOTJXFDVFCNVNT-XUIVZRPNSA-N
XLogP1.20
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-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-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate (CID 58619944) is tert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate is CC(C)/C=C/CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is UOTJXFDVFCNVNT-XUIVZRPNSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)7-6-8-15-12(18)11(9-17)16-13(19)20-14(3,4)5/h6-7,10-11,17H,8-9H2,1-5H3,(H,15,18)(H,16,19)/b7-6+/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-hydroxy-1-[[(E)-4-methylpent-2-enyl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 58619944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).