pentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate

C10H17NO4 — CID 73294499

IUPACpentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
SMILESCCCCCOC(=O)N[C@H]1C(=O)O[C@H]1C
InChIInChI=1S/C10H17NO4/c1-3-4-5-6-14-10(13)11-8-7(2)15-9(8)12/h7-8H,3-6H2,1-2H3,(H,11,13)/t7-,8+/m0/s1
InChIKeyHZDBYMSLJOAPIN-JGVFFNPUSA-N
MW215.25 g/mol
LogP1.22
Rot. Bonds5

About pentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate

pentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate (PubChem CID 73294499) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is pentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate.

Molecular Properties

Compound Namepentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
PubChem CID73294499
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namepentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
SMILESCCCCCOC(=O)N[C@H]1C(=O)O[C@H]1C
InChIInChI=1S/C10H17NO4/c1-3-4-5-6-14-10(13)11-8-7(2)15-9(8)12/h7-8H,3-6H2,1-2H3,(H,11,13)/t7-,8+/m0/s1
InChIKeyHZDBYMSLJOAPIN-JGVFFNPUSA-N
XLogP1.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze pentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-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 pentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
The IUPAC name of pentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate (CID 73294499) is pentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate.
What is the SMILES notation for pentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
The canonical SMILES for pentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate is CCCCCOC(=O)N[C@H]1C(=O)O[C@H]1C.
What is the InChIKey of pentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
The InChIKey is HZDBYMSLJOAPIN-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-4-5-6-14-10(13)11-8-7(2)15-9(8)12/h7-8H,3-6H2,1-2H3,(H,11,13)/t7-,8+/m0/s1.
What are the key properties of pentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
pentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate has a molecular weight of 215.25 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate is sourced from PubChem (CID 73294499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).