2-(ethylamino)cyclopropane-1-carboxylic acid

C6H11NO2 — CID 117027588

IUPAC2-(ethylamino)cyclopropane-1-carboxylic acid
SMILESCCNC1CC1C(=O)O
InChIInChI=1S/C6H11NO2/c1-2-7-5-3-4(5)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyCDAHKGIFHLTWFL-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.07
Rot. Bonds3

About 2-(ethylamino)cyclopropane-1-carboxylic acid

2-(ethylamino)cyclopropane-1-carboxylic acid (PubChem CID 117027588) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(ethylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(ethylamino)cyclopropane-1-carboxylic acid
PubChem CID117027588
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(ethylamino)cyclopropane-1-carboxylic acid
SMILESCCNC1CC1C(=O)O
InChIInChI=1S/C6H11NO2/c1-2-7-5-3-4(5)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyCDAHKGIFHLTWFL-UHFFFAOYSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(ethylamino)cyclopropane-1-carboxylic acid (CID 117027588) is 2-(ethylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(ethylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(ethylamino)cyclopropane-1-carboxylic acid is CCNC1CC1C(=O)O.
What is the InChIKey of 2-(ethylamino)cyclopropane-1-carboxylic acid?
The InChIKey is CDAHKGIFHLTWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-7-5-3-4(5)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-(ethylamino)cyclopropane-1-carboxylic acid?
2-(ethylamino)cyclopropane-1-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117027588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).