tert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C16H30N2O5 — CID 22874498

IUPACtert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@@H](C=O)CCCCN
InChIInChI=1S/C16H30N2O5/c1-15(2,3)22-13(20)18(14(21)23-16(4,5)6)12(11-19)9-7-8-10-17/h11-12H,7-10,17H2,1-6H3/t12-/m1/s1
InChIKeyQDMFEHUFFWMIFF-GFCCVEGCSA-N
MW330.43 g/mol
LogP2.86
Rot. Bonds6

About tert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 22874498) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID22874498
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Nametert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@@H](C=O)CCCCN
InChIInChI=1S/C16H30N2O5/c1-15(2,3)22-13(20)18(14(21)23-16(4,5)6)12(11-19)9-7-8-10-17/h11-12H,7-10,17H2,1-6H3/t12-/m1/s1
InChIKeyQDMFEHUFFWMIFF-GFCCVEGCSA-N
XLogP2.86
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]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)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 22874498) is tert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@@H](C=O)CCCCN.
What is the InChIKey of tert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is QDMFEHUFFWMIFF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-15(2,3)22-13(20)18(14(21)23-16(4,5)6)12(11-19)9-7-8-10-17/h11-12H,7-10,17H2,1-6H3/t12-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 330.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-6-amino-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 22874498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).