methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate

C14H22N4O5 — CID 20823423

IUPACmethyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate
SMILESCNC(=O)C(Cn1ccc(=O)[nH]c1=O)NC(C(=O)OC)C(C)C
InChIInChI=1S/C14H22N4O5/c1-8(2)11(13(21)23-4)16-9(12(20)15-3)7-18-6-5-10(19)17-14(18)22/h5-6,8-9,11,16H,7H2,1-4H3,(H,15,20)(H,17,19,22)
InChIKeyFWLCBFMWCYUMHZ-UHFFFAOYSA-N
MW326.35 g/mol
LogP-1.56
Rot. Bonds7

About methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate

methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate (PubChem CID 20823423) has the molecular formula C14H22N4O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate
PubChem CID20823423
Molecular FormulaC14H22N4O5
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Namemethyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate
SMILESCNC(=O)C(Cn1ccc(=O)[nH]c1=O)NC(C(=O)OC)C(C)C
InChIInChI=1S/C14H22N4O5/c1-8(2)11(13(21)23-4)16-9(12(20)15-3)7-18-6-5-10(19)17-14(18)22/h5-6,8-9,11,16H,7H2,1-4H3,(H,15,20)(H,17,19,22)
InChIKeyFWLCBFMWCYUMHZ-UHFFFAOYSA-N
XLogP-1.56
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate with MolForge

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Launch Full Analysis

Related Compounds

N-(2-boc-aminoethyl)-N-(uracil-1-ylacetyl)-glycine ethyl ester
CID 129822401
methyl (2S)-2-[[2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-methylbutanoate
CID 44129972
Propanoic acid, 2-([(1,1-dimethylethoxy)carbonyl]amino)-3-(2,6-dioxo-1,2,3,6-tetrahydro-1-pyrimidinyl)-, methyl ester
CID 545142
N-(t-Butoxycarbonyl)alanine, 3-uracil-1-yl-, methyl ester
CID 546369
ditert-butyl (2S)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]butanedioate
CID 59032633
methyl (2R)-2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate
CID 60024344
methyl (2S)-2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate
CID 60077381
ethyl (2R)-2-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]propanoylamino]-3-methylbutanoate
CID 170005956
methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate
CID 10521105
methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]-3-hydroxypropanoate
CID 10570237
3-Methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43354046
2-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 43354050

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate (CID 20823423) is methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate is CNC(=O)C(Cn1ccc(=O)[nH]c1=O)NC(C(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate?
The InChIKey is FWLCBFMWCYUMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O5/c1-8(2)11(13(21)23-4)16-9(12(20)15-3)7-18-6-5-10(19)17-14(18)22/h5-6,8-9,11,16H,7H2,1-4H3,(H,15,20)(H,17,19,22).
What are the key properties of methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate?
methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate has a molecular weight of 326.35 g/mol, XLogP of -1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2,4-dioxopyrimidin-1-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methylbutanoate is sourced from PubChem (CID 20823423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).