(2R)-1-acetylpyrrolidine-2-carboxylic acid

C7H11NO3 — CID 719436

IUPAC(2R)-1-acetylpyrrolidine-2-carboxylic acid
SMILESCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyGNMSLDIYJOSUSW-ZCFIWIBFSA-N
MW157.17 g/mol
LogP0.08
Rot. Bonds1

About (2R)-1-acetylpyrrolidine-2-carboxylic acid

(2R)-1-acetylpyrrolidine-2-carboxylic acid (PubChem CID 719436) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2R)-1-acetylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-acetylpyrrolidine-2-carboxylic acid
PubChem CID719436
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2R)-1-acetylpyrrolidine-2-carboxylic acid
SMILESCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyGNMSLDIYJOSUSW-ZCFIWIBFSA-N
XLogP0.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-acetylpyrrolidine-2-carboxylic acid (CID 719436) is (2R)-1-acetylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-acetylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-acetylpyrrolidine-2-carboxylic acid is CC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-acetylpyrrolidine-2-carboxylic acid?
The InChIKey is GNMSLDIYJOSUSW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-1-acetylpyrrolidine-2-carboxylic acid?
(2R)-1-acetylpyrrolidine-2-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 719436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).