2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid

C16H32N2O2 — CID 79489042

IUPAC2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid
SMILESCCC(CC)N(CC(C)C)CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-6-14(7-2)18(10-12(3)4)11-16(5,15(19)20)17-13-8-9-13/h12-14,17H,6-11H2,1-5H3,(H,19,20)
InChIKeyWDMOZKJMAHIYOY-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.73
Rot. Bonds10

About 2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid

2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid (PubChem CID 79489042) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid
PubChem CID79489042
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid
SMILESCCC(CC)N(CC(C)C)CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-6-14(7-2)18(10-12(3)4)11-16(5,15(19)20)17-13-8-9-13/h12-14,17H,6-11H2,1-5H3,(H,19,20)
InChIKeyWDMOZKJMAHIYOY-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid
CID 79483169
2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid
CID 64711089
2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid
CID 64710762
2-(cyclobutylamino)-2,5-dimethylhexanoic acid
CID 115001848
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068
2-(cyclopropylamino)-4-[ethyl(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64710862
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146
2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 79490308
2-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300
2-(cyclopropylamino)-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanoic acid
CID 106448855
2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol
CID 64796626

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid (CID 79489042) is 2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid is CCC(CC)N(CC(C)C)CC(C)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid?
The InChIKey is WDMOZKJMAHIYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-14(7-2)18(10-12(3)4)11-16(5,15(19)20)17-13-8-9-13/h12-14,17H,6-11H2,1-5H3,(H,19,20).
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid?
2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid is sourced from PubChem (CID 79489042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).