methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate

C8H15NO3 — CID 62918498

IUPACmethyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1CCC(O)C1
InChIInChI=1S/C8H15NO3/c1-6(8(11)12-2)9-4-3-7(10)5-9/h6-7,10H,3-5H2,1-2H3
InChIKeyNNXGRPVHCCFPDW-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.39
Rot. Bonds2

About methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate

methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate (PubChem CID 62918498) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
PubChem CID62918498
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1CCC(O)C1
InChIInChI=1S/C8H15NO3/c1-6(8(11)12-2)9-4-3-7(10)5-9/h6-7,10H,3-5H2,1-2H3
InChIKeyNNXGRPVHCCFPDW-UHFFFAOYSA-N
XLogP-0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565
methyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate
CID 115314462
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(3-methylbutyl)propanamide
CID 78963745
methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate
CID 63170571
1-(1-aminoethyl)pyrrolidin-3-ol
CID 68831329
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
methyl 2-(3-azabicyclo[3.3.1]nonan-3-yl)propanoate
CID 130479743
methyl 2-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpropanoate
CID 79031111
2-(3-hydroxy-4-methylpiperidin-1-yl)propanehydrazide
CID 102968624

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate?
The IUPAC name of methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate (CID 62918498) is methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate?
The canonical SMILES for methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate is COC(=O)C(C)N1CCC(O)C1.
What is the InChIKey of methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate?
The InChIKey is NNXGRPVHCCFPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(8(11)12-2)9-4-3-7(10)5-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate?
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate has a molecular weight of 173.21 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate is sourced from PubChem (CID 62918498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).