ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate

C19H30N4O7 — CID 86595832

IUPACethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
SMILESCCOC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)CCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H30N4O7/c1-6-29-15(25)12-22(10-8-20-18(28)30-19(3,4)5)14(24)7-9-23-11-13(2)16(26)21-17(23)27/h11H,6-10,12H2,1-5H3,(H,20,28)(H,21,26,27)
InChIKeyVRMZUPJIHDFRQE-UHFFFAOYSA-N
MW426.47 g/mol
LogP0.15
Rot. Bonds9

About ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate

ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate (PubChem CID 86595832) has the molecular formula C19H30N4O7 and a molecular weight of 426.47 g/mol. Its IUPAC name is ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
PubChem CID86595832
Molecular FormulaC19H30N4O7
Molecular Weight426.47 g/mol
Exact Mass426.21
IUPAC Nameethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
SMILESCCOC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)CCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H30N4O7/c1-6-29-15(25)12-22(10-8-20-18(28)30-19(3,4)5)14(24)7-9-23-11-13(2)16(26)21-17(23)27/h11H,6-10,12H2,1-5H3,(H,20,28)(H,21,26,27)
InChIKeyVRMZUPJIHDFRQE-UHFFFAOYSA-N
XLogP0.15
TPSA139.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate with MolForge

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Related Compounds

tert-butyl 2-[2-[(2-ethoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]acetate
CID 140514369
ethyl 2-[(2-chloroacetyl)-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
CID 10245600
tert-butyl N-[[3-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]-5-[[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]methyl]phenyl]methyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
CID 101162298
tert-butyl (2S)-2-[2-[(2-ethoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]pyrrolidine-1-carboxylate
CID 46910709
2-[2-(carbonofluoridoylamino)ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 143914917
2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane
CID 143450884
tert-butyl 2-[benzyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]amino]acetate
CID 15817341
ethyl 2-[[2-[2-(benzylamino)-6-oxo-1H-purin-9-yl]acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
CID 135535750
tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane
CID 144939598
benzyl N-[(3R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 102123003
3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide
CID 11277154
decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 101049324

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate?
The IUPAC name of ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate (CID 86595832) is ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate is CCOC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)CCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate?
The InChIKey is VRMZUPJIHDFRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O7/c1-6-29-15(25)12-22(10-8-20-18(28)30-19(3,4)5)14(24)7-9-23-11-13(2)16(26)21-17(23)27/h11H,6-10,12H2,1-5H3,(H,20,28)(H,21,26,27).
What are the key properties of ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate?
ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate has a molecular weight of 426.47 g/mol, XLogP of 0.15, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate is sourced from PubChem (CID 86595832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).