2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid

C7H11NO2 — CID 155310064

IUPAC2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid
SMILESC=C(NC)C1CC1C(=O)O
InChIInChI=1S/C7H11NO2/c1-4(8-2)5-3-6(5)7(9)10/h5-6,8H,1,3H2,2H3,(H,9,10)
InChIKeyDDCFMLBOMJDRSP-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.44
Rot. Bonds3

About 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid

2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid (PubChem CID 155310064) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid
PubChem CID155310064
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid
SMILESC=C(NC)C1CC1C(=O)O
InChIInChI=1S/C7H11NO2/c1-4(8-2)5-3-6(5)7(9)10/h5-6,8H,1,3H2,2H3,(H,9,10)
InChIKeyDDCFMLBOMJDRSP-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084193
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
(1S,2S,4R,5R)-4,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 124821426
4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid
CID 158943945
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3,6,7-tetracarboxylic acid
CID 67173351
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid
CID 93311791
trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid
CID 13039560
2-propanoylcyclopropane-1-carboxylic acid
CID 68524876

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid (CID 155310064) is 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid is C=C(NC)C1CC1C(=O)O.
What is the InChIKey of 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid?
The InChIKey is DDCFMLBOMJDRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4(8-2)5-3-6(5)7(9)10/h5-6,8H,1,3H2,2H3,(H,9,10).
What are the key properties of 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid?
2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 155310064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).