tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride

C11H21ClN2O3 — CID 76532364

IUPACtert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)C1CCCN1C(=O)CN.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-11(2,3)16-10(15)8-5-4-6-13(8)9(14)7-12;/h8H,4-7,12H2,1-3H3;1H
InChIKeyVKDIQCSJYXSIEM-UHFFFAOYSA-N
MW264.75 g/mol
LogP0.70
Rot. Bonds2

About tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride

tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride (PubChem CID 76532364) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
PubChem CID76532364
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Nametert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)C1CCCN1C(=O)CN.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-11(2,3)16-10(15)8-5-4-6-13(8)9(14)7-12;/h8H,4-7,12H2,1-3H3;1H
InChIKeyVKDIQCSJYXSIEM-UHFFFAOYSA-N
XLogP0.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 57383535
tert-butyl (2S)-1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 81003896
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate
CID 139635911
tert-butyl (2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 95973096
tert-butyl (2R)-1-[2-[acetyl(methyl)amino]acetyl]pyrrolidine-2-carboxylate
CID 81002030
tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
CID 93046631
tert-butyl (2S)-1-[(E)-4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carboxylate
CID 10835999
2-O-tert-butyl 1-O-(2-methylpropyl) (2R)-pyrrolidine-1,2-dicarboxylate
CID 115536127
tert-butyl (2S)-1-(4-methoxy-3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 81003523
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride (CID 76532364) is tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride is CC(C)(C)OC(=O)C1CCCN1C(=O)CN.Cl.
What is the InChIKey of tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is VKDIQCSJYXSIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.ClH/c1-11(2,3)16-10(15)8-5-4-6-13(8)9(14)7-12;/h8H,4-7,12H2,1-3H3;1H.
What are the key properties of tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride?
tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 76532364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).