2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid

C17H26N2O2 — CID 65487478

IUPAC2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid
SMILESCN(CCc1ccccc1)CCC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C17H26N2O2/c1-17(16(20)21,18-15-8-9-15)11-13-19(2)12-10-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3,(H,20,21)
InChIKeyNKNJEWCIWQYFDD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.15
Rot. Bonds9

About 2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid

2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid (PubChem CID 65487478) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid
PubChem CID65487478
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid
SMILESCN(CCc1ccccc1)CCC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C17H26N2O2/c1-17(16(20)21,18-15-8-9-15)11-13-19(2)12-10-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3,(H,20,21)
InChIKeyNKNJEWCIWQYFDD-UHFFFAOYSA-N
XLogP2.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
CID 114988664
4-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylbutanoic acid
CID 55249059
methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65485948
methyl 2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65487667
ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate
CID 65487091
2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoic acid
CID 65487093
2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butan-1-ol
CID 65486202
methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate
CID 65487858
1-cyclopropyl-2-[methyl(2-phenylethyl)amino]ethanol
CID 65486700
2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile
CID 65486891
N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide
CID 77070479

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid (CID 65487478) is 2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid is CN(CCc1ccccc1)CCC(C)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid?
The InChIKey is NKNJEWCIWQYFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(16(20)21,18-15-8-9-15)11-13-19(2)12-10-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid?
2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid has a molecular weight of 290.41 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid is sourced from PubChem (CID 65487478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).