ethane;1-(methylamino)cyclopropane-1-carboxylic acid

C7H15NO2 — CID 91255825

IUPACethane;1-(methylamino)cyclopropane-1-carboxylic acid
SMILESCC.CNC1(C(=O)O)CC1
InChIInChI=1S/C5H9NO2.C2H6/c1-6-5(2-3-5)4(7)8;1-2/h6H,2-3H2,1H3,(H,7,8);1-2H3
InChIKeyUHYJAVZCOQTMEG-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.85
Rot. Bonds2

About ethane;1-(methylamino)cyclopropane-1-carboxylic acid

ethane;1-(methylamino)cyclopropane-1-carboxylic acid (PubChem CID 91255825) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethane;1-(methylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nameethane;1-(methylamino)cyclopropane-1-carboxylic acid
PubChem CID91255825
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethane;1-(methylamino)cyclopropane-1-carboxylic acid
SMILESCC.CNC1(C(=O)O)CC1
InChIInChI=1S/C5H9NO2.C2H6/c1-6-5(2-3-5)4(7)8;1-2/h6H,2-3H2,1H3,(H,7,8);1-2H3
InChIKeyUHYJAVZCOQTMEG-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(methylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of ethane;1-(methylamino)cyclopropane-1-carboxylic acid (CID 91255825) is ethane;1-(methylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for ethane;1-(methylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for ethane;1-(methylamino)cyclopropane-1-carboxylic acid is CC.CNC1(C(=O)O)CC1.
What is the InChIKey of ethane;1-(methylamino)cyclopropane-1-carboxylic acid?
The InChIKey is UHYJAVZCOQTMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C2H6/c1-6-5(2-3-5)4(7)8;1-2/h6H,2-3H2,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;1-(methylamino)cyclopropane-1-carboxylic acid?
ethane;1-(methylamino)cyclopropane-1-carboxylic acid has a molecular weight of 145.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(methylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 91255825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).