ditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate

C16H29NO5 — CID 123164143

IUPACditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCC(CCO)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO5/c1-15(2,3)21-13(19)12-8-7-11(9-10-18)17(12)14(20)22-16(4,5)6/h11-12,18H,7-10H2,1-6H3/t11?,12-/m0/s1
InChIKeyWAZQUILENWWJEZ-KIYNQFGBSA-N
MW315.41 g/mol
LogP2.48
Rot. Bonds3

About ditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate

ditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate (PubChem CID 123164143) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is ditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
PubChem CID123164143
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Nameditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCC(CCO)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO5/c1-15(2,3)21-13(19)12-8-7-11(9-10-18)17(12)14(20)22-16(4,5)6/h11-12,18H,7-10H2,1-6H3/t11?,12-/m0/s1
InChIKeyWAZQUILENWWJEZ-KIYNQFGBSA-N
XLogP2.48
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate 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

Cetylhydroxyproline palmitamide
CID 71587803
(5S)-1-(tert-Butoxycarbonyl)-5-methyl-L-proline
CID 15516206
(2R,5R)-1-((tert-butoxy)carbonyl)-5-methylpyrrolidine-2-carboxylic acid
CID 69333326
(2S,4S,5S)-1-[(tert-butoxy)carbonyl]-4-hydroxy-5-methylpyrrolidine-2-carboxylic acid
CID 122490031
rac-(3aR,5R,6aR)-4-[(tert-butoxy)carbonyl]-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 132398673
3-{1-[(Tert-butoxy)carbonyl]-5-(methoxycarbonyl)pyrrolidin-3-yl}propanoic acid
CID 137698915
rac-(2R,3aS,5R,6aS)-4-[(tert-butoxy)carbonyl]-2-methyl-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 137935466
4-((tert-butoxy)carbonyl)-2-methyl-hexahydro-2H-furo(3,2-b)pyrrole-5-carboxylic acid
CID 137935972
rac-(2R,5S)-1,5-bis[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 137949334
1-[(Tert-butoxy)carbonyl]-8-oxa-1-azaspiro[4.5]decane-2-carboxylic acid
CID 177791699
(2S,4R)-Di-tert-Butyl 4-hydroxypyrrolidine-1,2-dicarboxylate
CID 7408710
O1-tert-Butyl O2,O5-dimethyl cis-pyrrolidine-1,2,5-tricarboxylate
CID 11066084

Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate (CID 123164143) is ditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate is CC(C)(C)OC(=O)[C@@H]1CCC(CCO)N1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The InChIKey is WAZQUILENWWJEZ-KIYNQFGBSA-N. The full InChI is InChI=1S/C16H29NO5/c1-15(2,3)21-13(19)12-8-7-11(9-10-18)17(12)14(20)22-16(4,5)6/h11-12,18H,7-10H2,1-6H3/t11?,12-/m0/s1.
What are the key properties of ditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
ditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate has a molecular weight of 315.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2S)-5-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 123164143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).