(2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid

C10H15NO3 — CID 170404236

IUPAC(2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid
SMILESC=CC[C@]1(C(=O)O)CCCN1C(C)=O
InChIInChI=1S/C10H15NO3/c1-3-5-10(9(13)14)6-4-7-11(10)8(2)12/h3H,1,4-7H2,2H3,(H,13,14)/t10-/m1/s1
InChIKeySKOLVAJCUNDBLM-SNVBAGLBSA-N
MW197.23 g/mol
LogP1.03
Rot. Bonds3

About (2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid

(2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid (PubChem CID 170404236) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid
PubChem CID170404236
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid
SMILESC=CC[C@]1(C(=O)O)CCCN1C(C)=O
InChIInChI=1S/C10H15NO3/c1-3-5-10(9(13)14)6-4-7-11(10)8(2)12/h3H,1,4-7H2,2H3,(H,13,14)/t10-/m1/s1
InChIKeySKOLVAJCUNDBLM-SNVBAGLBSA-N
XLogP1.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-1-(2-methylpropanoyl)-2-prop-2-enylpyrrolidine-2-carboxylate
CID 155775317
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpyrrolidine-2-carboxylate
CID 6950456
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
methyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate
CID 11666705
(2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid
CID 57420331
2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid
CID 83076062
1-[tert-butyl(prop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978528
1-O-benzyl 2-O-methyl 2-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 10709551
2-(3,3-difluoroprop-2-enyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 69097894
2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 114617998
1-(1-acetylpiperidine-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83059785
1-(2,2-diethylpyrrolidin-1-yl)ethanone
CID 45086484

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid (CID 170404236) is (2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid is C=CC[C@]1(C(=O)O)CCCN1C(C)=O.
What is the InChIKey of (2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid?
The InChIKey is SKOLVAJCUNDBLM-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-5-10(9(13)14)6-4-7-11(10)8(2)12/h3H,1,4-7H2,2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid?
(2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-2-prop-2-enylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 170404236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).