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

C9H18N2O3 — CID 50986390

IUPACtert-butyl (3R,4S)-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-RQJHMYQMSA-N
MW202.25 g/mol
LogP-0.07
Rot. Bonds

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

tert-butyl (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 50986390) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate
PubChem CID50986390
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl (3R,4S)-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-RQJHMYQMSA-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate (CID 50986390) is tert-butyl (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-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,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is MOZOQDNRVPHFOO-RQJHMYQMSA-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,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate?
tert-butyl (3R,4S)-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,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 50986390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).