tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate

C10H20N2O3 — CID 97041552

IUPACtert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)[C@]1(CO)CCN(N)C1
InChIInChI=1S/C10H20N2O3/c1-9(2,3)15-8(14)10(7-13)4-5-12(11)6-10/h13H,4-7,11H2,1-3H3/t10-/m1/s1
InChIKeyAVNZQLNFDYKTDW-SNVBAGLBSA-N
MW216.28 g/mol
LogP-0.11
Rot. Bonds2

About tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate

tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate (PubChem CID 97041552) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate
PubChem CID97041552
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)[C@]1(CO)CCN(N)C1
InChIInChI=1S/C10H20N2O3/c1-9(2,3)15-8(14)10(7-13)4-5-12(11)6-10/h13H,4-7,11H2,1-3H3/t10-/m1/s1
InChIKeyAVNZQLNFDYKTDW-SNVBAGLBSA-N
XLogP-0.11
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid
CID 70873051
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965
4-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 67155743
4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 67384770
4-(2-aminoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 165495257
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 4-(2-hydroxyethyl)oxane-4-carboxylate;ethane
CID 144998191
3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 167720791
1-O-tert-butyl 3-O-(chloromethyl) 3-ethylpyrrolidine-1,3-dicarboxylate
CID 165439576
tert-butyl 4-(hydroxymethyl)cubane-1-carboxylate
CID 164928886
tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate
CID 84712731

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate?
The IUPAC name of tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate (CID 97041552) is tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate is CC(C)(C)OC(=O)[C@]1(CO)CCN(N)C1.
What is the InChIKey of tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate?
The InChIKey is AVNZQLNFDYKTDW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-9(2,3)15-8(14)10(7-13)4-5-12(11)6-10/h13H,4-7,11H2,1-3H3/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate?
tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate has a molecular weight of 216.28 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 97041552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).