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

C20H29N3O6 — CID 24830074

IUPAC2-[[1-cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(CC2CCCCC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C20H29N3O6/c24-15(25)11-21-17(26)16-18(27)22(12-13-7-3-1-4-8-13)20(29)23(19(16)28)14-9-5-2-6-10-14/h13-14,27H,1-12H2,(H,21,26)(H,24,25)
InChIKeyNDYKJPHVXNWMTP-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.62
Rot. Bonds6

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

2-[[1-cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 24830074) has the molecular formula C20H29N3O6 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[[1-cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
PubChem CID24830074
Molecular FormulaC20H29N3O6
Molecular Weight407.47 g/mol
Exact Mass407.21
IUPAC Name2-[[1-cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(CC2CCCCC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C20H29N3O6/c24-15(25)11-21-17(26)16-18(27)22(12-13-7-3-1-4-8-13)20(29)23(19(16)28)14-9-5-2-6-10-14/h13-14,27H,1-12H2,(H,21,26)(H,24,25)
InChIKeyNDYKJPHVXNWMTP-UHFFFAOYSA-N
XLogP1.62
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (CID 24830074) is 2-[[1-cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)n(CC2CCCCC2)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 2-[[1-cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is NDYKJPHVXNWMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O6/c24-15(25)11-21-17(26)16-18(27)22(12-13-7-3-1-4-8-13)20(29)23(19(16)28)14-9-5-2-6-10-14/h13-14,27H,1-12H2,(H,21,26)(H,24,25).
What are the key properties of 2-[[1-cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
2-[[1-cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 407.47 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 24830074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).