tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate

C9H18N2O3 — CID 11275699

IUPACtert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)C1
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5,10H2,1-3H3/t6-,7-/m1/s1
InChIKeyMOZOQDNRVPHFOO-RNFRBKRXSA-N
MW202.25 g/mol
LogP-0.07
Rot. Bonds

About tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate

tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 11275699) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate
PubChem CID11275699
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)C1
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5,10H2,1-3H3/t6-,7-/m1/s1
InChIKeyMOZOQDNRVPHFOO-RNFRBKRXSA-N
XLogP-0.07
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Boc-aminomethyl-3-hydroxy-1-N-Boc-pyrrolidine
CID 4532904
rel-1,1-Dimethylethyl (3R,4R)-3-hydroxy-4-(methylamino)-1-pyrrolidinecarboxylate
CID 28819679
Tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 10584835
1,1-Dimethylethyl (3S,4R)-3-amino-4-hydroxy-1-pyrrolidinecarboxylate
CID 10798157
trans-3-Azido-1-Boc-4-hydroxypyrrolidine
CID 11128048
rac-tert-butyl (3R,4S)-3-amino-4-methoxypyrrolidine-1-carboxylate
CID 11820622
rac-tert-butyl N-[(3R,4S)-4-methoxypyrrolidin-3-yl]carbamate
CID 15069970
rac-tert-butyl N-[(3R,4R)-4-methoxypyrrolidin-3-yl]carbamate
CID 15069971
rel-1,1-Dimethylethyl (3R,4R)-3-amino-4-methoxy-1-pyrrolidinecarboxylate
CID 16227912
tert-butyl N-(((2R,4R)-4-hydroxypyrrolidin-2-yl)methyl)carbamate
CID 22869528
tert-Butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 24730317
(2S,4S)-tert-butyl 4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 44828599

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate (CID 11275699) is tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)C1.
What is the InChIKey of tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is MOZOQDNRVPHFOO-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5,10H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate?
tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 11275699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).