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

C19H29N3O6 — CID 166530454

IUPAC2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1O
InChIInChI=1S/C19H29N3O6/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/h12-13,15,17,26H,1-11H2,(H,20,25)(H,23,24)
InChIKeyKZFIZUSAWQEGSQ-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.05
Rot. Bonds5

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

2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid (PubChem CID 166530454) has the molecular formula C19H29N3O6 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid
PubChem CID166530454
Molecular FormulaC19H29N3O6
Molecular Weight395.46 g/mol
Exact Mass395.21
IUPAC Name2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1O
InChIInChI=1S/C19H29N3O6/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/h12-13,15,17,26H,1-11H2,(H,20,25)(H,23,24)
InChIKeyKZFIZUSAWQEGSQ-UHFFFAOYSA-N
XLogP1.05
TPSA127.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid (CID 166530454) is 2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1O.
What is the InChIKey of 2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid?
The InChIKey is KZFIZUSAWQEGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O6/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/h12-13,15,17,26H,1-11H2,(H,20,25)(H,23,24).
What are the key properties of 2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid?
2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid has a molecular weight of 395.46 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dicyclohexyl-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 166530454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).