2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid

C10H20N2O2 — CID 63609756

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid
SMILESCCC1CN(C(C)C(=O)O)CCN1C
InChIInChI=1S/C10H20N2O2/c1-4-9-7-12(6-5-11(9)3)8(2)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyOGMZJXKHKYWUEE-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.49
Rot. Bonds3

About 2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid

2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid (PubChem CID 63609756) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid
PubChem CID63609756
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid
SMILESCCC1CN(C(C)C(=O)O)CCN1C
InChIInChI=1S/C10H20N2O2/c1-4-9-7-12(6-5-11(9)3)8(2)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyOGMZJXKHKYWUEE-UHFFFAOYSA-N
XLogP0.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 119135356
tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate
CID 66338891
2-(3,4-dimethylpiperazin-1-yl)propanoic acid
CID 63609228
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114898444
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate
CID 63609412
3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine
CID 63610693
2-(2,6-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)acetic acid
CID 83977841
methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate
CID 113373633
4-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 55215458
3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
CID 63608814
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
CID 78946636
3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine
CID 63620150

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid (CID 63609756) is 2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid is CCC1CN(C(C)C(=O)O)CCN1C.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid?
The InChIKey is OGMZJXKHKYWUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-9-7-12(6-5-11(9)3)8(2)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid?
2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 63609756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).