2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid

C11H22N2O2 — CID 83983014

IUPAC2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid
SMILESCCNC(CC1CCCN(C)C1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-3-12-10(11(14)15)7-9-5-4-6-13(2)8-9/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyQIAXQPQQPJSFGH-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.78
Rot. Bonds5

About 2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid

2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid (PubChem CID 83983014) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid
PubChem CID83983014
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid
SMILESCCNC(CC1CCCN(C)C1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-3-12-10(11(14)15)7-9-5-4-6-13(2)8-9/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyQIAXQPQQPJSFGH-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(ethylamino)propanoic acid
CID 83982571
2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid
CID 63027395
(2S)-4-hydroxy-2-[(1-methylpiperidin-3-yl)methylcarbamoylamino]butanoic acid
CID 107827202
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one
CID 71154625
3-(1-methylpiperidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-(2-piperidin-1-ylethyl)piperidine;3-piperidin-1-ylpropanoic acid
CID 157079875
3-methoxy-2-[(1-methylpiperidin-3-yl)methylcarbamoylamino]propanoic acid
CID 81084966
2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79315867
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrrolidin-3-yl)propanoic acid
CID 84713340
(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
CID 175818712
(2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid
CID 57350778
2-(methylamino)-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]propanoic acid
CID 115256304

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid?
The IUPAC name of 2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid (CID 83983014) is 2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid.
What is the SMILES notation for 2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid?
The canonical SMILES for 2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid is CCNC(CC1CCCN(C)C1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid?
The InChIKey is QIAXQPQQPJSFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-12-10(11(14)15)7-9-5-4-6-13(2)8-9/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid?
2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(1-methylpiperidin-3-yl)propanoic acid is sourced from PubChem (CID 83983014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).