3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid

C12H23N3O4 — CID 106110182

IUPAC3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid
SMILESCCN1CCN(C(=O)NCC(OC)C(=O)O)CC1C
InChIInChI=1S/C12H23N3O4/c1-4-14-5-6-15(8-9(14)2)12(18)13-7-10(19-3)11(16)17/h9-10H,4-8H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyXQACFUOCZVCULL-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.18
Rot. Bonds5

About 3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid

3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid (PubChem CID 106110182) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid
PubChem CID106110182
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid
SMILESCCN1CCN(C(=O)NCC(OC)C(=O)O)CC1C
InChIInChI=1S/C12H23N3O4/c1-4-14-5-6-15(8-9(14)2)12(18)13-7-10(19-3)11(16)17/h9-10H,4-8H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyXQACFUOCZVCULL-UHFFFAOYSA-N
XLogP-0.18
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
CID 103159409
2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 65226566
(2S)-4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107839962
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540967
3-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid
CID 106110671
1-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxypropan-1-one
CID 112704602
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 106110619
2-methoxy-3-[(4-methyl-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 114144558
(2S)-2-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]pentanedioic acid
CID 63615523
(2S)-2-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107827805
2-methoxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 106110229
3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 114144778

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid (CID 106110182) is 3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid is CCN1CCN(C(=O)NCC(OC)C(=O)O)CC1C.
What is the InChIKey of 3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid?
The InChIKey is XQACFUOCZVCULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-4-14-5-6-15(8-9(14)2)12(18)13-7-10(19-3)11(16)17/h9-10H,4-8H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid?
3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid has a molecular weight of 273.33 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106110182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).