tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate

C11H21NO5 — CID 57000258

IUPACtert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(OCCO)[C@@H](O)C1
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-6-8(14)9(7-12)16-5-4-13/h8-9,13-14H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyLTXUCOMZDWCUPT-IENPIDJESA-N
MW247.29 g/mol
LogP-0.02
Rot. Bonds3

About tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate

tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate (PubChem CID 57000258) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate
PubChem CID57000258
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Nametert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(OCCO)[C@@H](O)C1
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-6-8(14)9(7-12)16-5-4-13/h8-9,13-14H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyLTXUCOMZDWCUPT-IENPIDJESA-N
XLogP-0.02
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-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

tert-butyl (3R)-3-bromo-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate
CID 156519596
tert-butyl (3S,4S)-3-hydroxy-4-prop-2-enoxypyrrolidine-1-carboxylate
CID 57019319
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl (3R,4R,5R,6S)-3,4,5,6-tetrahydroxyazepane-1-carboxylate
CID 139845782
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
tert-butyl (3S,4S)-3-hydroxy-4-(methylsulfanylmethyl)pyrrolidine-1-carboxylate
CID 59842031
tert-butyl 3-bromo-4-(2-methoxyethoxy)pyrrolidine-1-carboxylate
CID 114773115
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219
tert-butyl 3-iodo-4-(3-methylbutoxy)pyrrolidine-1-carboxylate
CID 114772957
tert-butyl (3R,4S)-3-hydroxy-4-[2-[2-(2-hydroxyethoxy)ethylsulfanyl]ethyl]pyrrolidine-1-carboxylate
CID 118252717
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl (3R)-3-hydroxy-4-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 130204392

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate (CID 57000258) is tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(OCCO)[C@@H](O)C1.
What is the InChIKey of tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate?
The InChIKey is LTXUCOMZDWCUPT-IENPIDJESA-N. The full InChI is InChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-6-8(14)9(7-12)16-5-4-13/h8-9,13-14H,4-7H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 57000258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).