2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid

C15H22N2O3 — CID 63039991

IUPAC2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid
SMILESCN(C)c1cccc(OCCC(NC2CC2)C(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-17(2)12-4-3-5-13(10-12)20-9-8-14(15(18)19)16-11-6-7-11/h3-5,10-11,14,16H,6-9H2,1-2H3,(H,18,19)
InChIKeyDSRLQVDBCMKZAI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.73
Rot. Bonds8

About 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid

2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid (PubChem CID 63039991) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid
PubChem CID63039991
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid
SMILESCN(C)c1cccc(OCCC(NC2CC2)C(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-17(2)12-4-3-5-13(10-12)20-9-8-14(15(18)19)16-11-6-7-11/h3-5,10-11,14,16H,6-9H2,1-2H3,(H,18,19)
InChIKeyDSRLQVDBCMKZAI-UHFFFAOYSA-N
XLogP1.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64810584
ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate
CID 63040178
2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide
CID 63039927
2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid
CID 55143193
3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid
CID 82224178
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
CID 64809761
2-[3-(dimethylamino)phenoxy]propanoic acid
CID 22683634
2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64809356
2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid
CID 63027827
2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid
CID 63269768
4-[3-(dimethylamino)phenoxy]-2-(pyrrolidine-1-carbonyl)butanenitrile
CID 82136808

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid (CID 63039991) is 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid is CN(C)c1cccc(OCCC(NC2CC2)C(=O)O)c1.
What is the InChIKey of 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid?
The InChIKey is DSRLQVDBCMKZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(2)12-4-3-5-13(10-12)20-9-8-14(15(18)19)16-11-6-7-11/h3-5,10-11,14,16H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid?
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid is sourced from PubChem (CID 63039991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).