5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid

C13H23N3O4 — CID 63621909

IUPAC5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCCC1CN(C(=O)NC(=O)CCCC(=O)O)CCN1C
InChIInChI=1S/C13H23N3O4/c1-3-10-9-16(8-7-15(10)2)13(20)14-11(17)5-4-6-12(18)19/h10H,3-9H2,1-2H3,(H,18,19)(H,14,17,20)
InChIKeyCZQSZGMBDXAKFV-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.50
Rot. Bonds5

About 5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid

5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 63621909) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID63621909
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCCC1CN(C(=O)NC(=O)CCCC(=O)O)CCN1C
InChIInChI=1S/C13H23N3O4/c1-3-10-9-16(8-7-15(10)2)13(20)14-11(17)5-4-6-12(18)19/h10H,3-9H2,1-2H3,(H,18,19)(H,14,17,20)
InChIKeyCZQSZGMBDXAKFV-UHFFFAOYSA-N
XLogP0.50
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 63615693
5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 106587526
4-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 114007514
6-[(2-ethylazepane-1-carbonyl)amino]-6-oxohexanoic acid
CID 104690464
5-(morpholine-4-carbonylamino)-5-oxopentanoic acid
CID 28931672
2-[2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569935
6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
CID 43585543
6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid
CID 43447293
6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid
CID 43447360
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63978254
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114898444
ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate
CID 63615548

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid (CID 63621909) is 5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid is CCC1CN(C(=O)NC(=O)CCCC(=O)O)CCN1C.
What is the InChIKey of 5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is CZQSZGMBDXAKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-10-9-16(8-7-15(10)2)13(20)14-11(17)5-4-6-12(18)19/h10H,3-9H2,1-2H3,(H,18,19)(H,14,17,20).
What are the key properties of 5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 63621909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).