tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate

C9H17NO3 — CID 64713195

IUPACtert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(12)7-4-6(11)5-10-7/h6-7,10-11H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyVSLZXCDAPVPGOX-BQBZGAKWSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds1

About tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate

tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 64713195) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID64713195
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(12)7-4-6(11)5-10-7/h6-7,10-11H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyVSLZXCDAPVPGOX-BQBZGAKWSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-Hydroxyproline
CID 5810
4-Hydroxyproline
CID 825
Cis-4-Hydroxy-L-Proline
CID 440015
Cis-4-Hydroxy-D-Proline
CID 440014
trans-hydroxy-L-proline
CID 6971053
L-Proline, 4-hydroxy-, cis-
CID 69248
(2R,4S)-4-hydroxypyrrolidine-2-carboxylic acid
CID 440074
cis-4-hydroxy-D-proline zwitterion
CID 6971279
(2S)-4-hydroxypyrrolidinium-2-carboxylate
CID 45266637
cis-4-Hydroxyproline
CID 6971054
L-Proline 1,1-dimethylethyl ester
CID 6453108
CID 6971274
CID 6971274

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate (CID 64713195) is tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is VSLZXCDAPVPGOX-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)7-4-6(11)5-10-7/h6-7,10-11H,4-5H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 64713195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).