tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate

C10H18N2O4 — CID 14471857

IUPACtert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NO
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)12-6-4-5-7(12)8(13)11-15/h7,15H,4-6H2,1-3H3,(H,11,13)/t7-/m0/s1
InChIKeyQRXFGAFSGGJJHI-ZETCQYMHSA-N
MW230.26 g/mol
LogP0.89
Rot. Bonds1

About tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 14471857) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
PubChem CID14471857
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nametert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NO
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)12-6-4-5-7(12)8(13)11-15/h7,15H,4-6H2,1-3H3,(H,11,13)/t7-/m0/s1
InChIKeyQRXFGAFSGGJJHI-ZETCQYMHSA-N
XLogP0.89
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium
CID 173484458
2-methyl-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 12990507
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate
CID 124835778
tert-butyl 2-(3-methylbutan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 73237927
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
tert-butyl (2S)-2-(acetamidocarbamoyl)piperidine-1-carboxylate
CID 131748452
tert-butyl (2S)-2-[2-(methylamino)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 102225547
tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 70050480

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate (CID 14471857) is tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NO.
What is the InChIKey of tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is QRXFGAFSGGJJHI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)12-6-4-5-7(12)8(13)11-15/h7,15H,4-6H2,1-3H3,(H,11,13)/t7-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 14471857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).