2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid

C12H24N2O2 — CID 63027395

IUPAC2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid
SMILESCCNC(CCN1CCCCC1C)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-13-11(12(15)16)7-9-14-8-5-4-6-10(14)2/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyGDFQJDFHOLHOFK-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds6

About 2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid

2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid (PubChem CID 63027395) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid
PubChem CID63027395
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid
SMILESCCNC(CCN1CCCCC1C)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-13-11(12(15)16)7-9-14-8-5-4-6-10(14)2/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyGDFQJDFHOLHOFK-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one
CID 71154610
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid
CID 107565964
2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile
CID 63028079
2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid
CID 83983014
(2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid
CID 98191086
2-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butanoic acid
CID 63055582
2-[[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]methyl]butanoic acid
CID 65219331
2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
CID 83062373
N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 62617686
2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63165353
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)propanoic acid
CID 79935238
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid?
The IUPAC name of 2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid (CID 63027395) is 2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid is CCNC(CCN1CCCCC1C)C(=O)O.
What is the InChIKey of 2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid?
The InChIKey is GDFQJDFHOLHOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-13-11(12(15)16)7-9-14-8-5-4-6-10(14)2/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid?
2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 63027395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).