ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate

C10H19NO3 — CID 101351583

IUPACethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
SMILESCCOC(=O)[C@H](C)[C@H](O)[C@@H]1CCCN1
InChIInChI=1S/C10H19NO3/c1-3-14-10(13)7(2)9(12)8-5-4-6-11-8/h7-9,11-12H,3-6H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyVAMGBCGWICTDJR-VGMNWLOBSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds4

About ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate

ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate (PubChem CID 101351583) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
PubChem CID101351583
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
SMILESCCOC(=O)[C@H](C)[C@H](O)[C@@H]1CCCN1
InChIInChI=1S/C10H19NO3/c1-3-14-10(13)7(2)9(12)8-5-4-6-11-8/h7-9,11-12H,3-6H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyVAMGBCGWICTDJR-VGMNWLOBSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-pyrrolidin-2-ylpropanoate
CID 12896133
(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 134516134
ethyl 3-piperidin-2-ylpentanoate
CID 67315004
ethyl 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]propanoate
CID 102682663
2-pyrrolidin-2-ylbutanamide
CID 69095576
methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 118577691
ethyl 2-propan-2-ylpiperidine-3-carboxylate
CID 83855212
ethyl (2S,3S)-3-hydroxy-2-methylpentanoate
CID 11051949
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol
CID 138712862
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623
(4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 155141506

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate?
The IUPAC name of ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate (CID 101351583) is ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate.
What is the SMILES notation for ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate?
The canonical SMILES for ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate is CCOC(=O)[C@H](C)[C@H](O)[C@@H]1CCCN1.
What is the InChIKey of ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate?
The InChIKey is VAMGBCGWICTDJR-VGMNWLOBSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-14-10(13)7(2)9(12)8-5-4-6-11-8/h7-9,11-12H,3-6H2,1-2H3/t7-,8+,9+/m1/s1.
What are the key properties of ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate?
ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate is sourced from PubChem (CID 101351583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).