benzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate

C17H23N3O4 — CID 91343931

IUPACbenzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate
SMILESCC1NCC(C)N(CC(=O)NCC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C17H23N3O4/c1-12-8-18-13(2)17(23)20(12)10-15(21)19-9-16(22)24-11-14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3,(H,19,21)
InChIKeyQXCJDYUTSIIWEQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.05
Rot. Bonds6

About benzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate

benzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate (PubChem CID 91343931) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is benzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate
PubChem CID91343931
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Namebenzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate
SMILESCC1NCC(C)N(CC(=O)NCC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C17H23N3O4/c1-12-8-18-13(2)17(23)20(12)10-15(21)19-9-16(22)24-11-14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3,(H,19,21)
InChIKeyQXCJDYUTSIIWEQ-UHFFFAOYSA-N
XLogP0.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 51177215
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CID 4987875
benzyl 2-(3,3-dimethylbutanoylamino)acetate
CID 78799807
benzyl 2-[(2-tert-butylsulfanylacetyl)amino]acetate
CID 78786053
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CID 3321472
benzyl 2-[[2-[2-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3850087
2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
CID 139916418
benzyl 2-[(2-propylsulfanylacetyl)amino]acetate
CID 52671611
methyl 2-[(2S,5S)-5-(2-methoxy-2-oxoethyl)-3,6-dioxo-1,4-bis(2-oxo-2-phenylmethoxyethyl)piperazin-2-yl]acetate
CID 11215029
benzyl 2-(cyclopropanecarbonylamino)acetate
CID 26878245
benzyl 2-[[2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]acetate
CID 27711358

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate (CID 91343931) is benzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate is CC1NCC(C)N(CC(=O)NCC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of benzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate?
The InChIKey is QXCJDYUTSIIWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12-8-18-13(2)17(23)20(12)10-15(21)19-9-16(22)24-11-14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3,(H,19,21).
What are the key properties of benzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate?
benzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate has a molecular weight of 333.39 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-(3,6-dimethyl-2-oxopiperazin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 91343931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).