1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate

C14H25NO5 — CID 11044391

IUPAC1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@]1(CCCO)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-13(2,3)20-12(18)15-9-5-7-14(15,8-6-10-16)11(17)19-4/h16H,5-10H2,1-4H3/t14-/m1/s1
InChIKeyQTBBFQJUNQVAGJ-CQSZACIVSA-N
MW287.36 g/mol
LogP1.70
Rot. Bonds4

About 1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate (PubChem CID 11044391) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate
PubChem CID11044391
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@]1(CCCO)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-13(2,3)20-12(18)15-9-5-7-14(15,8-6-10-16)11(17)19-4/h16H,5-10H2,1-4H3/t14-/m1/s1
InChIKeyQTBBFQJUNQVAGJ-CQSZACIVSA-N
XLogP1.70
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)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

1,2-Pyrrolidinedicarboxylic acid, 4-(methoxymethyl)-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
CID 69672059
1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-(hydroxymethyl)-1,2-pyrrolidinedicarboxylate
CID 69675038
1,2-Pyrrolidinedicarboxylic acid, 4-(hydroxymethyl)-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
CID 53740272
1-[(Tert-butoxy)carbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 71302101
1-Tert-butyl 2-methyl 2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
CID 90329951
3-{1-[(Tert-butoxy)carbonyl]-5-(methoxycarbonyl)pyrrolidin-3-yl}propanoic acid
CID 137698915
N-boc-5-hydroxy-l-proline
CID 10751976
(2S)-1-tert-Butyl 2-ethyl 5-hydroxypyrrolidine-1,2-dicarboxylate
CID 10801244
1-tert-Butyl 2-methyl (2S)-5-hydroxypyrrolidine-1,2-dicarboxylate
CID 10944689
Ditert-butyl 5-hydroxypyrrolidine-1,2-dicarboxylate
CID 74950736
(4S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 121356623
1-tert-butyl 2-methyl (2S)-4-fluoro-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
CID 118019739

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate (CID 11044391) is 1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate is COC(=O)[C@]1(CCCO)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate?
The InChIKey is QTBBFQJUNQVAGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H25NO5/c1-13(2,3)20-12(18)15-9-5-7-14(15,8-6-10-16)11(17)19-4/h16H,5-10H2,1-4H3/t14-/m1/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11044391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).