2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid

C15H28N2O3 — CID 102966377

IUPAC2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid
SMILESCOC1CN(CCC(C)(NC2CC2)C(=O)O)CCC1C
InChIInChI=1S/C15H28N2O3/c1-11-6-8-17(10-13(11)20-3)9-7-15(2,14(18)19)16-12-4-5-12/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyCUVPTTDEJNSHRG-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.33
Rot. Bonds7

About 2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid

2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid (PubChem CID 102966377) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid
PubChem CID102966377
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid
SMILESCOC1CN(CCC(C)(NC2CC2)C(=O)O)CCC1C
InChIInChI=1S/C15H28N2O3/c1-11-6-8-17(10-13(11)20-3)9-7-15(2,14(18)19)16-12-4-5-12/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyCUVPTTDEJNSHRG-UHFFFAOYSA-N
XLogP1.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid
CID 102966380
5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid
CID 102968597
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoic acid
CID 103537944
4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutan-2-amine
CID 102963557
2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanoic acid
CID 63635258
methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate
CID 79184202
2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid
CID 55040284
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methylbutanoic acid
CID 102967441
1-(3-methoxy-4-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 102960525
2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide
CID 79184111
2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid
CID 63623601
2-(cyclopropylamino)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylhexanoic acid
CID 104960225

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid (CID 102966377) is 2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid is COC1CN(CCC(C)(NC2CC2)C(=O)O)CCC1C.
What is the InChIKey of 2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid?
The InChIKey is CUVPTTDEJNSHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-6-8-17(10-13(11)20-3)9-7-15(2,14(18)19)16-12-4-5-12/h11-13,16H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid?
2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutanoic acid is sourced from PubChem (CID 102966377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).