[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate

C19H16N2O4 — CID 7786573

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate
SMILESC[C@@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C19H16N2O4/c1-11(17(22)21-19(20)24)25-18(23)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-11H,1H3,(H3,20,21,22,24)/t11-/m1/s1
InChIKeySLVWIWZHZZZVCL-LLVKDONJSA-N
MW336.35 g/mol
LogP2.73
Rot. Bonds3

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate (PubChem CID 7786573) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate
PubChem CID7786573
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate
SMILESC[C@@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C19H16N2O4/c1-11(17(22)21-19(20)24)25-18(23)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-11H,1H3,(H3,20,21,22,24)/t11-/m1/s1
InChIKeySLVWIWZHZZZVCL-LLVKDONJSA-N
XLogP2.73
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786575
propan-2-yl anthracene-9-carboxylate
CID 12646743
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786528
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786496
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468177
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193834
[1-(carbamoylamino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 16523519
[(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate
CID 2568505
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 2513592
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] anthracene-9-carboxylate
CID 8022152
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7553067
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786471

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate (CID 7786573) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate is C[C@@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate?
The InChIKey is SLVWIWZHZZZVCL-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11(17(22)21-19(20)24)25-18(23)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-11H,1H3,(H3,20,21,22,24)/t11-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate is sourced from PubChem (CID 7786573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).