(3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate

C7H10NO4- — CID 7045753

IUPAC(3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])[C@H]1CC(=O)N(CCO)C1
InChIInChI=1S/C7H11NO4/c9-2-1-8-4-5(7(11)12)3-6(8)10/h5,9H,1-4H2,(H,11,12)/p-1/t5-/m0/s1
InChIKeyLYORUPRFHVMNOI-YFKPBYRVSA-M
MW172.16 g/mol
LogP-2.42
Rot. Bonds3

About (3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate

(3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 7045753) has the molecular formula C7H10NO4- and a molecular weight of 172.16 g/mol. Its IUPAC name is (3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID7045753
Molecular FormulaC7H10NO4-
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name(3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])[C@H]1CC(=O)N(CCO)C1
InChIInChI=1S/C7H11NO4/c9-2-1-8-4-5(7(11)12)3-6(8)10/h5,9H,1-4H2,(H,11,12)/p-1/t5-/m0/s1
InChIKeyLYORUPRFHVMNOI-YFKPBYRVSA-M
XLogP-2.42
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 23662544
sodium 1-octadecyl-5-oxopyrrolidine-3-carboxylate
CID 23662612
(4R)-1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 170372384
1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one
CID 168709345
1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 63100627
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 6967212

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate (CID 7045753) is (3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate is O=C([O-])[C@H]1CC(=O)N(CCO)C1.
What is the InChIKey of (3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is LYORUPRFHVMNOI-YFKPBYRVSA-M. The full InChI is InChI=1S/C7H11NO4/c9-2-1-8-4-5(7(11)12)3-6(8)10/h5,9H,1-4H2,(H,11,12)/p-1/t5-/m0/s1.
What are the key properties of (3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate?
(3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 172.16 g/mol, XLogP of -2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7045753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).