trans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid

C15H18N4O7 — CID 127039649

IUPACtrans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid
SMILESCc1cn(CCC(=O)NN=C2C[C@@H](C(=O)O)[C@H](C(=O)O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N4O7/c1-7-6-19(15(26)16-12(7)21)3-2-11(20)18-17-8-4-9(13(22)23)10(5-8)14(24)25/h6,9-10H,2-5H2,1H3,(H,18,20)(H,22,23)(H,24,25)(H,16,21,26)/t9-,10-/m1/s1
InChIKeyGBUGMTFVHTXIFE-NXEZZACHSA-N
MW366.33 g/mol
LogP-1.10
Rot. Bonds6

About trans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid

trans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid (PubChem CID 127039649) has the molecular formula C15H18N4O7 and a molecular weight of 366.33 g/mol. Its IUPAC name is trans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid
PubChem CID127039649
Molecular FormulaC15H18N4O7
Molecular Weight366.33 g/mol
Exact Mass366.12
IUPAC Nametrans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid
SMILESCc1cn(CCC(=O)NN=C2C[C@@H](C(=O)O)[C@H](C(=O)O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N4O7/c1-7-6-19(15(26)16-12(7)21)3-2-11(20)18-17-8-4-9(13(22)23)10(5-8)14(24)25/h6,9-10H,2-5H2,1H3,(H,18,20)(H,22,23)(H,24,25)(H,16,21,26)/t9-,10-/m1/s1
InChIKeyGBUGMTFVHTXIFE-NXEZZACHSA-N
XLogP-1.10
TPSA170.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid?
The IUPAC name of trans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid (CID 127039649) is trans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid.
What is the SMILES notation for trans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid?
The canonical SMILES for trans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid is Cc1cn(CCC(=O)NN=C2C[C@@H](C(=O)O)[C@H](C(=O)O)C2)c(=O)[nH]c1=O.
What is the InChIKey of trans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid?
The InChIKey is GBUGMTFVHTXIFE-NXEZZACHSA-N. The full InChI is InChI=1S/C15H18N4O7/c1-7-6-19(15(26)16-12(7)21)3-2-11(20)18-17-8-4-9(13(22)23)10(5-8)14(24)25/h6,9-10H,2-5H2,1H3,(H,18,20)(H,22,23)(H,24,25)(H,16,21,26)/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid?
trans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid has a molecular weight of 366.33 g/mol, XLogP of -1.10, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylhydrazinylidene]cyclopentane-1,2-dicarboxylic acid is sourced from PubChem (CID 127039649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).