ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate

C18H17FN4O5 — CID 14301748

IUPACethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate
SMILESCCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C18H17FN4O5/c1-2-28-16(25)14(7-10-8-20-13-6-4-3-5-11(10)13)21-17(26)23-9-12(19)15(24)22-18(23)27/h3-6,8-9,14,20H,2,7H2,1H3,(H,21,26)(H,22,24,27)
InChIKeyZNNVVSKAZVCTTB-UHFFFAOYSA-N
MW388.36 g/mol
LogP0.89
Rot. Bonds5

About ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate

ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate (PubChem CID 14301748) has the molecular formula C18H17FN4O5 and a molecular weight of 388.36 g/mol. Its IUPAC name is ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate
PubChem CID14301748
Molecular FormulaC18H17FN4O5
Molecular Weight388.36 g/mol
Exact Mass388.12
IUPAC Nameethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate
SMILESCCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C18H17FN4O5/c1-2-28-16(25)14(7-10-8-20-13-6-4-3-5-11(10)13)21-17(26)23-9-12(19)15(24)22-18(23)27/h3-6,8-9,14,20H,2,7H2,1H3,(H,21,26)(H,22,24,27)
InChIKeyZNNVVSKAZVCTTB-UHFFFAOYSA-N
XLogP0.89
TPSA126.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate with MolForge

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Related Compounds

[2-[[(2S)-1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium
CID 57007606
[2-[[1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium chloride
CID 110188518
ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate
CID 3674807
ethyl (2S)-3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate
CID 7033511
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
ethyl 3-(1H-indol-3-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)amino]propanoate
CID 14750683
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187
2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 69130545
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 7573513
ethyl N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 40830371
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate?
The IUPAC name of ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate (CID 14301748) is ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate is CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate?
The InChIKey is ZNNVVSKAZVCTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O5/c1-2-28-16(25)14(7-10-8-20-13-6-4-3-5-11(10)13)21-17(26)23-9-12(19)15(24)22-18(23)27/h3-6,8-9,14,20H,2,7H2,1H3,(H,21,26)(H,22,24,27).
What are the key properties of ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate?
ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate has a molecular weight of 388.36 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 14301748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).