tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate

C10H18N2O4 — CID 67557534

IUPACtert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)C[C@H]1C(N)=O
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-6(13)4-7(12)8(11)14/h6-7,13H,4-5H2,1-3H3,(H2,11,14)/t6?,7-/m0/s1
InChIKeyISGKNURQVBUGBO-MLWJPKLSSA-N
MW230.26 g/mol
LogP-0.16
Rot. Bonds1

About tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate

tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 67557534) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
PubChem CID67557534
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nametert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)C[C@H]1C(N)=O
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-6(13)4-7(12)8(11)14/h6-7,13H,4-5H2,1-3H3,(H2,11,14)/t6?,7-/m0/s1
InChIKeyISGKNURQVBUGBO-MLWJPKLSSA-N
XLogP-0.16
TPSA92.86 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 ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S,4S)-4-amino-2-carbamoylpyrrolidine-1-carboxylate
CID 21308807
sodium;hydride;(4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 173126664
1-O-tert-butyl 2-O-ethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 12709318
tert-butyl (2S,4R)-2-carbamoyl-4-carbamoyloxypyrrolidine-1-carboxylate
CID 56632300
1-O-tert-butyl 2-O-(2-methylpropanoyl) 4-hydroxypyrrolidine-1,2-dicarboxylate
CID 123668646
1-O-tert-butyl 2-O-prop-2-enyl (4S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 59123157
tert-butyl (2S,4R)-2-[(3S,4R)-3,4-difluoropyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-1-carboxylate
CID 68811255
tert-butyl (2S,4R)-2-(2-amino-2-oxoethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 69415666
tert-butyl (2S,4R)-4-hydroxy-2-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 170263821
tert-butyl (2R,4R)-4-hydroxy-2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 166771165
tert-butyl (2S,4R)-4-hydroxy-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 685563
1-O-tert-butyl 2-O-hexyl 4-hydroxypyrrolidine-1,2-dicarboxylate
CID 170975970

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate (CID 67557534) is tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O)C[C@H]1C(N)=O.
What is the InChIKey of tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is ISGKNURQVBUGBO-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-6(13)4-7(12)8(11)14/h6-7,13H,4-5H2,1-3H3,(H2,11,14)/t6?,7-/m0/s1.
What are the key properties of tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate?
tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 230.26 g/mol, XLogP of -0.16, 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-carbamoyl-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 67557534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).