2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

C15H20F3N5O5 — CID 10001430

IUPAC2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C15H20F3N5O5/c1-2-3-4-5-9(7-23(28)8-24)12(25)21-22-14-19-6-10(13(26)27)11(20-14)15(16,17)18/h6,8-9,28H,2-5,7H2,1H3,(H,21,25)(H,26,27)(H,19,20,22)/t9-/m1/s1
InChIKeyRNGOYRMJHFBTRJ-SECBINFHSA-N
MW407.35 g/mol
LogP1.68
Rot. Bonds11

About 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 10001430) has the molecular formula C15H20F3N5O5 and a molecular weight of 407.35 g/mol. Its IUPAC name is 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID10001430
Molecular FormulaC15H20F3N5O5
Molecular Weight407.35 g/mol
Exact Mass407.14
IUPAC Name2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C15H20F3N5O5/c1-2-3-4-5-9(7-23(28)8-24)12(25)21-22-14-19-6-10(13(26)27)11(20-14)15(16,17)18/h6,8-9,28H,2-5,7H2,1H3,(H,21,25)(H,26,27)(H,19,20,22)/t9-/m1/s1
InChIKeyRNGOYRMJHFBTRJ-SECBINFHSA-N
XLogP1.68
TPSA144.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10051216
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10051290
N-hydroxy-N-[(2R)-2-[[[5-(morpholine-4-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 10254393
N-hydroxy-N-[(2R)-2-[[[5-(piperidine-1-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 10322662
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10365609
methyl 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 10387448
N-tert-butyl-2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10412007
2-[2-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 69825124
2-[2-[2-[[Formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 85088506
N-hydroxy-N-[2-[[[5-(piperidine-1-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 85109939
Methyl 2-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 85128835
[formyl-[(2R)-2-[[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]amino] 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 87264033

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 10001430) is 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is CCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)O)c(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is RNGOYRMJHFBTRJ-SECBINFHSA-N. The full InChI is InChI=1S/C15H20F3N5O5/c1-2-3-4-5-9(7-23(28)8-24)12(25)21-22-14-19-6-10(13(26)27)11(20-14)15(16,17)18/h6,8-9,28H,2-5,7H2,1H3,(H,21,25)(H,26,27)(H,19,20,22)/t9-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 407.35 g/mol, XLogP of 1.68, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 10001430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).