2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid

C15H22N2O2 — CID 63027827

IUPAC2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid
SMILESCCN(CCC(NC1CC1)C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-17(13-6-4-3-5-7-13)11-10-14(15(18)19)16-12-8-9-12/h3-7,12,14,16H,2,8-11H2,1H3,(H,18,19)
InChIKeyGCWVARHOEKGOKN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.11
Rot. Bonds8

About 2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid

2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid (PubChem CID 63027827) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid
PubChem CID63027827
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid
SMILESCCN(CCC(NC1CC1)C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-17(13-6-4-3-5-7-13)11-10-14(15(18)19)16-12-8-9-12/h3-7,12,14,16H,2,8-11H2,1H3,(H,18,19)
InChIKeyGCWVARHOEKGOKN-UHFFFAOYSA-N
XLogP2.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid (CID 63027827) is 2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid is CCN(CCC(NC1CC1)C(=O)O)c1ccccc1.
What is the InChIKey of 2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid?
The InChIKey is GCWVARHOEKGOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-17(13-6-4-3-5-7-13)11-10-14(15(18)19)16-12-8-9-12/h3-7,12,14,16H,2,8-11H2,1H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid?
2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid is sourced from PubChem (CID 63027827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).