tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate

C10H20N2O2 — CID 93046631

IUPACtert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1CN
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)8-5-4-6-12(8)7-11/h8H,4-7,11H2,1-3H3/t8-/m1/s1
InChIKeyUXSBBOCTQAJHSM-MRVPVSSYSA-N
MW200.28 g/mol
LogP0.71
Rot. Bonds2

About tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate

tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate (PubChem CID 93046631) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
PubChem CID93046631
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1CN
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)8-5-4-6-12(8)7-11/h8H,4-7,11H2,1-3H3/t8-/m1/s1
InChIKeyUXSBBOCTQAJHSM-MRVPVSSYSA-N
XLogP0.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate
CID 115537592
tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 81002802
tert-butyl 1-propylpyrrolidine-2-carboxylate
CID 23383587
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010129
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010126
tert-butyl (2S)-1-(3-amino-3-oxopropyl)pyrrolidine-2-carboxylate
CID 81001922
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67010128
tert-butyl (2S)-1-butylpyrrolidine-2-carboxylate
CID 81002235
tert-butyl (2R)-1-nonylpyrrolidine-2-carboxylate
CID 115537600
tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 76532364
tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 57383535
tert-butyl (2R)-1-(3-methoxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 102977800

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate (CID 93046631) is tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1CCCN1CN.
What is the InChIKey of tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate?
The InChIKey is UXSBBOCTQAJHSM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)8-5-4-6-12(8)7-11/h8H,4-7,11H2,1-3H3/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 93046631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).