2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid

C7H11NO4 — CID 66167247

IUPAC2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid
SMILESO=C(O)C(O)CN1CCCC1=O
InChIInChI=1S/C7H11NO4/c9-5(7(11)12)4-8-3-1-2-6(8)10/h5,9H,1-4H2,(H,11,12)
InChIKeyZYPYVOAFHOHQTD-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.95
Rot. Bonds3

About 2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid

2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid (PubChem CID 66167247) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid
PubChem CID66167247
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid
SMILESO=C(O)C(O)CN1CCCC1=O
InChIInChI=1S/C7H11NO4/c9-5(7(11)12)4-8-3-1-2-6(8)10/h5,9H,1-4H2,(H,11,12)
InChIKeyZYPYVOAFHOHQTD-UHFFFAOYSA-N
XLogP-0.95
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431
2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 64582491
1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one
CID 124639194
1-[2-hydroxy-2-[1-hydroxy-2-(2-oxoazepan-1-yl)ethoxy]ethyl]azepan-2-one
CID 165374398
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
CID 70616832
2-methyl-N-[(2R)-3-methyl-1-(2-oxopyrrolidin-1-yl)butan-2-yl]propanamide
CID 176871269
2-acetamido-3-(2-oxoazocan-1-yl)propanoic acid
CID 64581697
3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 79006816
1-(3-chloro-2-hydroxypropyl)piperidin-2-one
CID 112560133
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
methyl 2-bromo-3-(2-oxopyrrolidin-1-yl)propanoate
CID 81091745

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid (CID 66167247) is 2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid is O=C(O)C(O)CN1CCCC1=O.
What is the InChIKey of 2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid?
The InChIKey is ZYPYVOAFHOHQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c9-5(7(11)12)4-8-3-1-2-6(8)10/h5,9H,1-4H2,(H,11,12).
What are the key properties of 2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid?
2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 66167247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).