methyl 2-hydroxy-2-pyrrolidin-1-ylacetate

C7H13NO3 — CID 139781505

IUPACmethyl 2-hydroxy-2-pyrrolidin-1-ylacetate
SMILESCOC(=O)C(O)N1CCCC1
InChIInChI=1S/C7H13NO3/c1-11-7(10)6(9)8-4-2-3-5-8/h6,9H,2-5H2,1H3
InChIKeyDSWXKBIRGZRSNP-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.43
Rot. Bonds2

About methyl 2-hydroxy-2-pyrrolidin-1-ylacetate

methyl 2-hydroxy-2-pyrrolidin-1-ylacetate (PubChem CID 139781505) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is methyl 2-hydroxy-2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-pyrrolidin-1-ylacetate
PubChem CID139781505
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Namemethyl 2-hydroxy-2-pyrrolidin-1-ylacetate
SMILESCOC(=O)C(O)N1CCCC1
InChIInChI=1S/C7H13NO3/c1-11-7(10)6(9)8-4-2-3-5-8/h6,9H,2-5H2,1H3
InChIKeyDSWXKBIRGZRSNP-UHFFFAOYSA-N
XLogP-0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-2-pyrrolidin-1-ylacetic acid
CID 9855506
Ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 57170246
Tert-butyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 57454288
Butyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 70341390
2-Methoxy-2-pyrrolidin-1-ylacetic acid
CID 83681022
Methyl 2-(dimethylamino)-2-hydroxyacetate
CID 139781489
Methyl 2-(diethylamino)-2-hydroxyacetate
CID 139781490
Methyl 2-(dibutylamino)-2-hydroxyacetate
CID 139781491
Methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
CID 139781503
Methyl 2-hydroxy-2-[methyl(propyl)amino]acetate
CID 139781507
Methyl 2-(dipropylamino)-2-hydroxyacetate
CID 139781510
Methyl 2-[butyl(methyl)amino]-2-hydroxyacetate
CID 139781513

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-pyrrolidin-1-ylacetate?
The IUPAC name of methyl 2-hydroxy-2-pyrrolidin-1-ylacetate (CID 139781505) is methyl 2-hydroxy-2-pyrrolidin-1-ylacetate.
What is the SMILES notation for methyl 2-hydroxy-2-pyrrolidin-1-ylacetate?
The canonical SMILES for methyl 2-hydroxy-2-pyrrolidin-1-ylacetate is COC(=O)C(O)N1CCCC1.
What is the InChIKey of methyl 2-hydroxy-2-pyrrolidin-1-ylacetate?
The InChIKey is DSWXKBIRGZRSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-7(10)6(9)8-4-2-3-5-8/h6,9H,2-5H2,1H3.
What are the key properties of methyl 2-hydroxy-2-pyrrolidin-1-ylacetate?
methyl 2-hydroxy-2-pyrrolidin-1-ylacetate has a molecular weight of 159.19 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 139781505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).