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

C11H19NO3 — CID 62977549

IUPACmethyl 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)propanoate
SMILESCOC(=O)C(C)C1(O)CCN(C2CC2)C1
InChIInChI=1S/C11H19NO3/c1-8(10(13)15-2)11(14)5-6-12(7-11)9-3-4-9/h8-9,14H,3-7H2,1-2H3
InChIKeyNLQFNQVIXHRMTH-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.39
Rot. Bonds3

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

methyl 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)propanoate (PubChem CID 62977549) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)propanoate
PubChem CID62977549
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)propanoate
SMILESCOC(=O)C(C)C1(O)CCN(C2CC2)C1
InChIInChI=1S/C11H19NO3/c1-8(10(13)15-2)11(14)5-6-12(7-11)9-3-4-9/h8-9,14H,3-7H2,1-2H3
InChIKeyNLQFNQVIXHRMTH-UHFFFAOYSA-N
XLogP0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)propanoate?
The IUPAC name of methyl 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)propanoate (CID 62977549) is methyl 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)propanoate.
What is the SMILES notation for methyl 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)propanoate?
The canonical SMILES for methyl 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)propanoate is COC(=O)C(C)C1(O)CCN(C2CC2)C1.
What is the InChIKey of methyl 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)propanoate?
The InChIKey is NLQFNQVIXHRMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(10(13)15-2)11(14)5-6-12(7-11)9-3-4-9/h8-9,14H,3-7H2,1-2H3.
What are the key properties of methyl 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)propanoate?
methyl 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)propanoate has a molecular weight of 213.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)propanoate is sourced from PubChem (CID 62977549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).