tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate

C15H27N3O5 — CID 97012257

IUPACtert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C15H27N3O5/c1-9(2)11(16-14(21)23-15(3,4)5)13(20)18-17-12(19)10-7-6-8-22-10/h9-11H,6-8H2,1-5H3,(H,16,21)(H,17,19)(H,18,20)/t10-,11+/m0/s1
InChIKeyYWAIGJCRTQTBJX-WDEREUQCSA-N
MW329.40 g/mol
LogP0.86
Rot. Bonds4

About tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate

tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate (PubChem CID 97012257) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate
PubChem CID97012257
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Nametert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C15H27N3O5/c1-9(2)11(16-14(21)23-15(3,4)5)13(20)18-17-12(19)10-7-6-8-22-10/h9-11H,6-8H2,1-5H3,(H,16,21)(H,17,19)(H,18,20)/t10-,11+/m0/s1
InChIKeyYWAIGJCRTQTBJX-WDEREUQCSA-N
XLogP0.86
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 103873195
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate
CID 110677926
tert-butyl N-[1-(cyclobutylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 62414196
3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855482
tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 74082031
methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate
CID 19010953
(2S)-N'-acetyloxolane-2-carbohydrazide
CID 131155943
tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 167722513
N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide
CID 174326114
tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate
CID 95331048
N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643
(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoic acid
CID 14657712

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate (CID 97012257) is tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate is CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCCO1.
What is the InChIKey of tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate?
The InChIKey is YWAIGJCRTQTBJX-WDEREUQCSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-9(2)11(16-14(21)23-15(3,4)5)13(20)18-17-12(19)10-7-6-8-22-10/h9-11H,6-8H2,1-5H3,(H,16,21)(H,17,19)(H,18,20)/t10-,11+/m0/s1.
What are the key properties of tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate?
tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate has a molecular weight of 329.40 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate is sourced from PubChem (CID 97012257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).