[(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate

C14H28N2O3 — CID 129383287

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate
SMILESCCCCCCCCCCNC(=O)O[C@H](C)C(N)=O
InChIInChI=1S/C14H28N2O3/c1-3-4-5-6-7-8-9-10-11-16-14(18)19-12(2)13(15)17/h12H,3-11H2,1-2H3,(H2,15,17)(H,16,18)/t12-/m1/s1
InChIKeyHEAMLJUWZOVWRF-GFCCVEGCSA-N
MW272.39 g/mol
LogP2.73
Rot. Bonds11

About [(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate

[(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate (PubChem CID 129383287) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate
PubChem CID129383287
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate
SMILESCCCCCCCCCCNC(=O)O[C@H](C)C(N)=O
InChIInChI=1S/C14H28N2O3/c1-3-4-5-6-7-8-9-10-11-16-14(18)19-12(2)13(15)17/h12H,3-11H2,1-2H3,(H2,15,17)(H,16,18)/t12-/m1/s1
InChIKeyHEAMLJUWZOVWRF-GFCCVEGCSA-N
XLogP2.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate
CID 134419359
2-[2-[6-[[1-(1-carboxyethoxy)-1-oxopropan-2-yl]oxycarbonylamino]hexylcarbamoyloxy]propanoyloxy]propanoic acid
CID 170239407
methyl N-nonylcarbamate
CID 5102101
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
undecyl N-octylcarbamate
CID 168918698
N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide
CID 175959027
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
nonylcarbamoperoxoic acid
CID 140999734
amino N-pentylcarbamate
CID 87397923
2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate
CID 122555611

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate (CID 129383287) is [(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate is CCCCCCCCCCNC(=O)O[C@H](C)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate?
The InChIKey is HEAMLJUWZOVWRF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-4-5-6-7-8-9-10-11-16-14(18)19-12(2)13(15)17/h12H,3-11H2,1-2H3,(H2,15,17)(H,16,18)/t12-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate?
[(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate has a molecular weight of 272.39 g/mol, XLogP of 2.73, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate is sourced from PubChem (CID 129383287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).