2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid

C19H27N3O6 — CID 91617630

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IUPAC2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)
InChIKeyRUEYEZADQJCKGV-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.26
Rot. Bonds5

About 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid

2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid (PubChem CID 91617630) has the molecular formula C19H27N3O6 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid
PubChem CID91617630
Molecular FormulaC19H27N3O6
Molecular Weight393.44 g/mol
Exact Mass393.19
IUPAC Name2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)
InChIKeyRUEYEZADQJCKGV-UHFFFAOYSA-N
XLogP1.26
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-(1,3-Dicyclohexyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamido)acetic acid
CID 24831508
Ethyl 2-(1,3-Dicyclohexyl-2,4,6-trioxohexahydropyrimidine-5-carboxamido)acetate
CID 145926719
N-{[3-Cyclohexyl-6-hydroxy-2,4-dioxo-1-(4-piperidinyl)-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl}glycine
CID 59313208
2-[[1-Cyclohexyl-3-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazinane-5-carbonyl]amino]acetic acid
CID 89926785
2-[(1-cyclohexyl-4-hydroxy-6-oxo-3-piperidin-4-yl-2H-pyrimidine-5-carbonyl)amino]acetic acid
CID 138747554
2-[[1,3-Bis(1-deuteriocyclohexyl)-2,4,6-trioxo-1,3-diazinane-5-carbonyl]amino]acetic acid
CID 141536245
2-[(1,3-Dicyclohexyl-5-formyl-4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)methylamino]acetic acid
CID 156244545
2-[(1,3-Dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid
CID 166530454
Phosphanyl 2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetate
CID 166530456
Methyl 2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetate
CID 167247462
Methyl 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetate
CID 172493603
Methyl 2-[[1,3-dicyclohexyl-5-[(2-methoxy-2-oxoethyl)carbamoyl]-2,4-dioxo-1,3-diazinane-5-carbonyl]amino]acetate
CID 172493606

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid (CID 91617630) is 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid?
The InChIKey is RUEYEZADQJCKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24).
What are the key properties of 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid?
2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid has a molecular weight of 393.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 91617630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).