2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid

C10H17NO2 — CID 117266938

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid
SMILESC=C(CC1CCCN1CC)C(=O)O
InChIInChI=1S/C10H17NO2/c1-3-11-6-4-5-9(11)7-8(2)10(12)13/h9H,2-7H2,1H3,(H,12,13)
InChIKeyLVCCGSAVODOKFY-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.50
Rot. Bonds4

About 2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid

2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid (PubChem CID 117266938) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid
PubChem CID117266938
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid
SMILESC=C(CC1CCCN1CC)C(=O)O
InChIInChI=1S/C10H17NO2/c1-3-11-6-4-5-9(11)7-8(2)10(12)13/h9H,2-7H2,1H3,(H,12,13)
InChIKeyLVCCGSAVODOKFY-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-{[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]methyl}prop-2-enoic acid
CID 167721496
2-{[(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]methyl}prop-2-enoic acid
CID 167739569
11-(Dimethylamino)-2-methylideneundecanoic acid
CID 17786509
9-(Dimethylamino)-2-methylidenenonanoic acid
CID 17786513
6-(Dibutylamino)-2-methylidenenonadecanoic acid
CID 17937420
6-(Diethylamino)-2-methylidenehexanoic acid
CID 17973851
6-(Dibutylamino)-2-methylidenehexanoic acid
CID 18414867
7-(Diethylamino)-2-methylideneheptanoic acid
CID 18414877
8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylic acid
CID 21163908
4-(Diethylamino)-2-methylidenehexanoic acid
CID 21651897
7-(Dimethylamino)-2-methylideneheptanoic acid
CID 22247391
6-(Dipropylamino)-2-methylidenehexanoic acid
CID 22645768

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid (CID 117266938) is 2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid is C=C(CC1CCCN1CC)C(=O)O.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid?
The InChIKey is LVCCGSAVODOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-11-6-4-5-9(11)7-8(2)10(12)13/h9H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid?
2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enoic acid is sourced from PubChem (CID 117266938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).