[(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate

C10H19NO4 — CID 164815639

IUPAC[(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate
SMILESO=C(CCN1CCCC1)OC[C@@H](O)CO
InChIInChI=1S/C10H19NO4/c12-7-9(13)8-15-10(14)3-6-11-4-1-2-5-11/h9,12-13H,1-8H2/t9-/m0/s1
InChIKeyBDNSKBFYIJPOJN-VIFPVBQESA-N
MW217.26 g/mol
LogP-0.63
Rot. Bonds6

About [(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate

[(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate (PubChem CID 164815639) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is [(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Name[(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate
PubChem CID164815639
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name[(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate
SMILESO=C(CCN1CCCC1)OC[C@@H](O)CO
InChIInChI=1S/C10H19NO4/c12-7-9(13)8-15-10(14)3-6-11-4-1-2-5-11/h9,12-13H,1-8H2/t9-/m0/s1
InChIKeyBDNSKBFYIJPOJN-VIFPVBQESA-N
XLogP-0.63
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2,3-dihydroxypropyl) icosanedioate
CID 14631093
[2-amino-3-(methylamino)-3-oxopropyl] 3-piperidin-1-ylpropanoate
CID 155713773
2,3-dihydroxypropyl butanoate
CID 175822551
2,3-dihydroxypropyl 3-[3-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate
CID 59503056
2,3-dihydroxypropyl 4-oxopentanoate;hydrate
CID 87111192
1,6-dipyrrolidin-1-ylhexane-3,4-dione
CID 3628395
[(2R)-2,3-dihydroxypropyl] 34-hydroxytetratriacontanoate
CID 162985486
hydroxymethyl 3-morpholin-4-ylpropanoate
CID 166468401
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
2,3-dihydroxypropyl 4,4-dimethylpentanoate
CID 87838530
8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid
CID 51136413
2,3-dihydroxypropyl 24,25-dihydroxypentacosanoate
CID 87511702

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate?
The IUPAC name of [(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate (CID 164815639) is [(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for [(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate?
The canonical SMILES for [(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate is O=C(CCN1CCCC1)OC[C@@H](O)CO.
What is the InChIKey of [(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate?
The InChIKey is BDNSKBFYIJPOJN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO4/c12-7-9(13)8-15-10(14)3-6-11-4-1-2-5-11/h9,12-13H,1-8H2/t9-/m0/s1.
What are the key properties of [(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate?
[(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate has a molecular weight of 217.26 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydroxypropyl] 3-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 164815639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).