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

C11H20N2O3 — CID 54054040

IUPACtert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CN
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)8-5-4-6-13(8)9(14)7-12/h8H,4-7,12H2,1-3H3/t8-/m0/s1
InChIKeyLUYWADSVTQBBGF-QMMMGPOBSA-N
MW228.29 g/mol
LogP0.28
Rot. Bonds2

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

tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate (PubChem CID 54054040) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate
PubChem CID54054040
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CN
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)8-5-4-6-13(8)9(14)7-12/h8H,4-7,12H2,1-3H3/t8-/m0/s1
InChIKeyLUYWADSVTQBBGF-QMMMGPOBSA-N
XLogP0.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gly-L-Pro
CID 6993386
L-Ala-L-Pro
CID 11892823
(2S)-1-[(2S)-2-azaniumyl-4-methylpentanoyl]pyrrolidine-2-carboxylate
CID 11893568
ethenyl (2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 168299693
1-Boc-2-(2-methoxy-2-oxoethylcarbamoyl)pyrrolidine
CID 292449
N-((1,1-Dimethylethoxy)carbonyl)-L-valyl-L-proline methyl ester
CID 11416197
(2S,4S)-methyl 1-acetyl-4-aminopyrrolidine-2-carboxylate
CID 25146958
(2S)-1-[(2S,3S)-2-azaniumyl-3-methylpentanoyl]pyrrolidine-2-carboxylate
CID 11862120
1-tert-butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate
CID 7009918
1-tert-Butyl 2-methyl (2R,4S)-4-aminopyrrolidine-1,2-dicarboxylate
CID 1519499
1,2-Di-tert-butyl pyrrolidine-1,2-dicarboxylate
CID 11149935
Methyl (2S,4R)-4-aminopyrrolidine-2-carboxylate hydrochloride, N1-BOC protected
CID 17750455

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate (CID 54054040) is tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CN.
What is the InChIKey of tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate?
The InChIKey is LUYWADSVTQBBGF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)8-5-4-6-13(8)9(14)7-12/h8H,4-7,12H2,1-3H3/t8-/m0/s1.
What are the key properties of tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate?
tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 54054040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).