tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate

C13H23NO4 — CID 81003461

IUPACtert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate
SMILESCC1CCC(C(=O)N[C@H](C)C(=O)OC(C)(C)C)O1
InChIInChI=1S/C13H23NO4/c1-8-6-7-10(17-8)11(15)14-9(2)12(16)18-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,14,15)/t8?,9-,10?/m1/s1
InChIKeyDTUJASZTKHHGKZ-HWOCKDDLSA-N
MW257.33 g/mol
LogP1.40
Rot. Bonds3

About tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate

tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate (PubChem CID 81003461) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate
PubChem CID81003461
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate
SMILESCC1CCC(C(=O)N[C@H](C)C(=O)OC(C)(C)C)O1
InChIInChI=1S/C13H23NO4/c1-8-6-7-10(17-8)11(15)14-9(2)12(16)18-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,14,15)/t8?,9-,10?/m1/s1
InChIKeyDTUJASZTKHHGKZ-HWOCKDDLSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate (CID 81003461) is tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate is CC1CCC(C(=O)N[C@H](C)C(=O)OC(C)(C)C)O1.
What is the InChIKey of tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate?
The InChIKey is DTUJASZTKHHGKZ-HWOCKDDLSA-N. The full InChI is InChI=1S/C13H23NO4/c1-8-6-7-10(17-8)11(15)14-9(2)12(16)18-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,14,15)/t8?,9-,10?/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate?
tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate has a molecular weight of 257.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(5-methyloxolane-2-carbonyl)amino]propanoate is sourced from PubChem (CID 81003461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).