2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid

C10H17NO2 — CID 117013117

IUPAC2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid
SMILESC=CCN1CCC(C)(CC(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-3-5-11-6-4-10(2,8-11)7-9(12)13/h3H,1,4-8H2,2H3,(H,12,13)
InChIKeyCTAFTQFMXBBRRH-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.36
Rot. Bonds4

About 2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid

2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid (PubChem CID 117013117) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid
PubChem CID117013117
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid
SMILESC=CCN1CCC(C)(CC(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-3-5-11-6-4-10(2,8-11)7-9(12)13/h3H,1,4-8H2,2H3,(H,12,13)
InChIKeyCTAFTQFMXBBRRH-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.36
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

2-[1-(3-methoxypropyl)-3-methylpyrrolidin-3-yl]acetic acid
CID 117013124
3-amino-1-prop-2-enylpiperidine-3-carboxylic acid
CID 117011810
2-(1,3-dimethylazepan-3-yl)acetic acid
CID 134365428
2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid
CID 117013317
3,3-dimethyl-1-prop-2-enylpiperidin-4-one
CID 117024262
2-(1-cyclopentyl-4-methylpiperidin-4-yl)acetic acid
CID 117013254
2,2-dimethyl-4-prop-2-enylmorpholine
CID 70009484
2-[1-(3,5-dimethylphenyl)-3-methylpiperidin-3-yl]acetic acid
CID 117013336
2-[3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetic acid
CID 117013155
2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid
CID 2050807
2-[3-methyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetic acid
CID 117013143
[(1S)-2,2-dichloro-1-methylcyclopropyl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 28842887

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid (CID 117013117) is 2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid is C=CCN1CCC(C)(CC(=O)O)C1.
What is the InChIKey of 2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid?
The InChIKey is CTAFTQFMXBBRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-5-11-6-4-10(2,8-11)7-9(12)13/h3H,1,4-8H2,2H3,(H,12,13).
What are the key properties of 2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid?
2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid has a molecular weight of 183.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 117013117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).