2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid

C20H29N3O6 — CID 24830075

IUPAC2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CCCCCC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C20H29N3O6/c24-15(25)12-21-17(26)16-18(27)22(13-8-4-1-2-5-9-13)20(29)23(19(16)28)14-10-6-3-7-11-14/h13-14,27H,1-12H2,(H,21,26)(H,24,25)
InChIKeyPWVZFLBDVZRPGX-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.93
Rot. Bonds5

About 2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid

2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 24830075) has the molecular formula C20H29N3O6 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid
PubChem CID24830075
Molecular FormulaC20H29N3O6
Molecular Weight407.47 g/mol
Exact Mass407.21
IUPAC Name2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CCCCCC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C20H29N3O6/c24-15(25)12-21-17(26)16-18(27)22(13-8-4-1-2-5-9-13)20(29)23(19(16)28)14-10-6-3-7-11-14/h13-14,27H,1-12H2,(H,21,26)(H,24,25)
InChIKeyPWVZFLBDVZRPGX-UHFFFAOYSA-N
XLogP1.93
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid (CID 24830075) is 2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)n(C2CCCCCC2)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is PWVZFLBDVZRPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O6/c24-15(25)12-21-17(26)16-18(27)22(13-8-4-1-2-5-9-13)20(29)23(19(16)28)14-10-6-3-7-11-14/h13-14,27H,1-12H2,(H,21,26)(H,24,25).
What are the key properties of 2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid?
2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 407.47 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 24830075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).