2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid

C9H15NO4 — CID 59945902

IUPAC2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid
SMILESCC(=O)[C@H]1CCCN1C(CO)C(=O)O
InChIInChI=1S/C9H15NO4/c1-6(12)7-3-2-4-10(7)8(5-11)9(13)14/h7-8,11H,2-5H2,1H3,(H,13,14)/t7-,8?/m1/s1
InChIKeyVHALHROEVHLCPF-GVHYBUMESA-N
MW201.22 g/mol
LogP-0.51
Rot. Bonds4

About 2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid

2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid (PubChem CID 59945902) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid
PubChem CID59945902
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid
SMILESCC(=O)[C@H]1CCCN1C(CO)C(=O)O
InChIInChI=1S/C9H15NO4/c1-6(12)7-3-2-4-10(7)8(5-11)9(13)14/h7-8,11H,2-5H2,1H3,(H,13,14)/t7-,8?/m1/s1
InChIKeyVHALHROEVHLCPF-GVHYBUMESA-N
XLogP-0.51
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone
CID 142147232
(3R)-4-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-2-one
CID 54525823
2-(2-carbamothioylpiperidin-1-yl)butanoic acid
CID 64662154
(2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid
CID 147425370
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971
2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid
CID 83041390
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutanoic acid
CID 61407625
(2R)-2-[(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butanoic acid
CID 129498272
2-(2-methylpyrrolidin-1-yl)pentanedioic acid
CID 79680347
2-(2-acetylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 63846538
2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid
CID 121201708

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid (CID 59945902) is 2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid is CC(=O)[C@H]1CCCN1C(CO)C(=O)O.
What is the InChIKey of 2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid?
The InChIKey is VHALHROEVHLCPF-GVHYBUMESA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(12)7-3-2-4-10(7)8(5-11)9(13)14/h7-8,11H,2-5H2,1H3,(H,13,14)/t7-,8?/m1/s1.
What are the key properties of 2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid?
2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid has a molecular weight of 201.22 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid is sourced from PubChem (CID 59945902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).