2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid

C12H24N2O3 — CID 119135356

IUPAC2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
SMILESCCC1CN(C(C)C(=O)O)CCN1CCOC
InChIInChI=1S/C12H24N2O3/c1-4-11-9-14(10(2)12(15)16)6-5-13(11)7-8-17-3/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyLJLNXURJPZNKSV-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.50
Rot. Bonds6

About 2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid

2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid (PubChem CID 119135356) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
PubChem CID119135356
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
SMILESCCC1CN(C(C)C(=O)O)CCN1CCOC
InChIInChI=1S/C12H24N2O3/c1-4-11-9-14(10(2)12(15)16)6-5-13(11)7-8-17-3/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyLJLNXURJPZNKSV-UHFFFAOYSA-N
XLogP0.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95332945
2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid
CID 63609756
(2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 124778877
(2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide
CID 98761402
2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 62309673
(2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide
CID 98761401
(2S)-2-amino-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119880381
N-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethyl]acetamide
CID 95350415
(2R)-2-ethyl-1-(2-methoxyethyl)-4-prop-2-enylpiperazine
CID 95333013
(2S)-4-butyl-2-ethyl-1-(2-methoxyethyl)piperazine
CID 100839425
1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 95343221
(2R)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 98761813

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid (CID 119135356) is 2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid is CCC1CN(C(C)C(=O)O)CCN1CCOC.
What is the InChIKey of 2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid?
The InChIKey is LJLNXURJPZNKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-11-9-14(10(2)12(15)16)6-5-13(11)7-8-17-3/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid?
2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 119135356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).