N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C12H16N4O4 — CID 91764327

IUPACN-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCC(=O)N[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)[nH]2)[C@H]2CCO[C@H]21
InChIInChI=1S/C12H16N4O4/c1-5(17)14-9-8(6-2-3-20-10(6)9)16-11(18)7-4-13-12(19)15-7/h4,6,8-10H,2-3H2,1H3,(H,14,17)(H,16,18)(H2,13,15,19)/t6-,8+,9-,10-/m1/s1
InChIKeyIRYULLAQAYZKIL-XCWAXFADSA-N
MW280.28 g/mol
LogP-1.28
Rot. Bonds3

About N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 91764327) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID91764327
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC NameN-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCC(=O)N[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)[nH]2)[C@H]2CCO[C@H]21
InChIInChI=1S/C12H16N4O4/c1-5(17)14-9-8(6-2-3-20-10(6)9)16-11(18)7-4-13-12(19)15-7/h4,6,8-10H,2-3H2,1H3,(H,14,17)(H,16,18)(H2,13,15,19)/t6-,8+,9-,10-/m1/s1
InChIKeyIRYULLAQAYZKIL-XCWAXFADSA-N
XLogP-1.28
TPSA116.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide with MolForge

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Related Compounds

N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide
CID 91766543
N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 133266590
N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 133268611
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide
CID 91765094
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide
CID 91766795
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 91779867
N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(benzotriazol-2-yl)acetamide
CID 133267427
N-[(1S,5S,6R,7S)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
CID 133267231
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-8-chloro-2-methylquinoline-4-carboxamide
CID 91782509
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1H-pyrrole-2-carboxamide
CID 66194802
5-chloro-N-[(1S,5S,6R,7S)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 133265906
N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
CID 133260494

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 91764327) is N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is CC(=O)N[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)[nH]2)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is IRYULLAQAYZKIL-XCWAXFADSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-5(17)14-9-8(6-2-3-20-10(6)9)16-11(18)7-4-13-12(19)15-7/h4,6,8-10H,2-3H2,1H3,(H,14,17)(H,16,18)(H2,13,15,19)/t6-,8+,9-,10-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 280.28 g/mol, XLogP of -1.28, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 91764327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).