methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate

C15H24N4O5 — CID 10521105

IUPACmethyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(Cn1ccc(=O)[nH]c1=O)C(=O)NC(C)(C)C
InChIInChI=1S/C15H24N4O5/c1-9(13(22)24-5)16-10(12(21)18-15(2,3)4)8-19-7-6-11(20)17-14(19)23/h6-7,9-10,16H,8H2,1-5H3,(H,18,21)(H,17,20,23)/t9-,10?/m1/s1
InChIKeyLEFFFYYBOLANCU-YHMJZVADSA-N
MW340.38 g/mol
LogP-1.03
Rot. Bonds6

About methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate

methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate (PubChem CID 10521105) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate
PubChem CID10521105
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Namemethyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(Cn1ccc(=O)[nH]c1=O)C(=O)NC(C)(C)C
InChIInChI=1S/C15H24N4O5/c1-9(13(22)24-5)16-10(12(21)18-15(2,3)4)8-19-7-6-11(20)17-14(19)23/h6-7,9-10,16H,8H2,1-5H3,(H,18,21)(H,17,20,23)/t9-,10?/m1/s1
InChIKeyLEFFFYYBOLANCU-YHMJZVADSA-N
XLogP-1.03
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate (CID 10521105) is methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate is COC(=O)[C@@H](C)NC(Cn1ccc(=O)[nH]c1=O)C(=O)NC(C)(C)C.
What is the InChIKey of methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate?
The InChIKey is LEFFFYYBOLANCU-YHMJZVADSA-N. The full InChI is InChI=1S/C15H24N4O5/c1-9(13(22)24-5)16-10(12(21)18-15(2,3)4)8-19-7-6-11(20)17-14(19)23/h6-7,9-10,16H,8H2,1-5H3,(H,18,21)(H,17,20,23)/t9-,10?/m1/s1.
What are the key properties of methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate?
methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate has a molecular weight of 340.38 g/mol, XLogP of -1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]amino]propanoate is sourced from PubChem (CID 10521105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).