tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate

C13H23N3O4 — CID 81002932

IUPACtert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate
SMILESCC(NC(N)=O)C(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O4/c1-8(15-12(14)19)10(17)16-7-5-6-9(16)11(18)20-13(2,3)4/h8-9H,5-7H2,1-4H3,(H3,14,15,19)/t8?,9-/m1/s1
InChIKeyAMZAYPWONLXIHJ-YGPZHTELSA-N
MW285.34 g/mol
LogP0.38
Rot. Bonds3

About tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate

tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate (PubChem CID 81002932) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate
PubChem CID81002932
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Nametert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate
SMILESCC(NC(N)=O)C(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O4/c1-8(15-12(14)19)10(17)16-7-5-6-9(16)11(18)20-13(2,3)4/h8-9H,5-7H2,1-4H3,(H3,14,15,19)/t8?,9-/m1/s1
InChIKeyAMZAYPWONLXIHJ-YGPZHTELSA-N
XLogP0.38
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 81002762
methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 18928254
methyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 139066167
tert-butyl (2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylate
CID 134917740
tert-butyl (2S)-1-[(2S)-2-[(1-ethoxycarbonylcyclopropyl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 18602359
tert-butyl (2S)-1-[(2S)-2-[[(2R)-2-bromo-3-phenylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylate
CID 70459339
tert-butyl (2R)-1-(2-methylpentanoyl)pyrrolidine-2-carboxylate
CID 81002524
tert-butyl N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 7031930
tert-butyl N-[(2S)-1-[(2R)-2-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 124718139
tert-butyl N-[(2R)-1-[(2S)-2-[[(2R,3R)-1-amino-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 7289325
tert-butyl (2S)-1-[amino(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylate
CID 70474195
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate (CID 81002932) is tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate is CC(NC(N)=O)C(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is AMZAYPWONLXIHJ-YGPZHTELSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8(15-12(14)19)10(17)16-7-5-6-9(16)11(18)20-13(2,3)4/h8-9H,5-7H2,1-4H3,(H3,14,15,19)/t8?,9-/m1/s1.
What are the key properties of tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-[2-(carbamoylamino)propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 81002932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).