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

C17H24N2O4 — CID 23258205

IUPACtert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NOCc1ccccc1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-7-10-14(19)15(20)18-22-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyZZCFSTKSMXAFQD-AWEZNQCLSA-N
MW320.39 g/mol
LogP2.63
Rot. Bonds4

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

tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 23258205) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate
PubChem CID23258205
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nametert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NOCc1ccccc1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-7-10-14(19)15(20)18-22-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyZZCFSTKSMXAFQD-AWEZNQCLSA-N
XLogP2.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(phenylmethoxycarbamoyl)piperidine-1-carboxylate
CID 60596105
tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate
CID 87540100
2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 58030139
tert-butyl (2S)-2-[[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 59924108
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 13118734
benzyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 67890856
dibenzyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pentanedioate
CID 67580591
tert-butyl 2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 4527733
tert-butyl 2-[(2-phenylmethoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 60557581
tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 132513343
tert-butyl (3R)-3-[[[(2S)-1-(phenylmethoxycarbamoyl)azepane-2-carbonyl]amino]carbamoyl]pyrrolidine-1-carboxylate
CID 163429155
1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate (CID 23258205) is tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NOCc1ccccc1.
What is the InChIKey of tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is ZZCFSTKSMXAFQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-7-10-14(19)15(20)18-22-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 23258205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).