[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate

C19H20N2O6 — CID 7196740

IUPAC[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)O[C@@H](C)C(=O)NC(N)=O)ccc1OCc1ccccc1
InChIInChI=1S/C19H20N2O6/c1-12(17(22)21-19(20)24)27-18(23)14-8-9-15(16(10-14)25-2)26-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H3,20,21,22,24)/t12-/m0/s1
InChIKeyLJLOZKHONCXWDB-LBPRGKRZSA-N
MW372.38 g/mol
LogP2.01
Rot. Bonds7

About [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate (PubChem CID 7196740) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
PubChem CID7196740
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)O[C@@H](C)C(=O)NC(N)=O)ccc1OCc1ccccc1
InChIInChI=1S/C19H20N2O6/c1-12(17(22)21-19(20)24)27-18(23)14-8-9-15(16(10-14)25-2)26-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H3,20,21,22,24)/t12-/m0/s1
InChIKeyLJLOZKHONCXWDB-LBPRGKRZSA-N
XLogP2.01
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate with MolForge

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Related Compounds

[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 55419475
[(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196707
[1-(benzylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 42969297
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-[(4-acetyl-2-methoxyphenyl)methoxy]-3-methoxybenzoate
CID 2109547
propan-2-yl 4-methoxy-3-phenylmethoxybenzoate
CID 82186215
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196715
butan-2-yl 3-methoxy-4-phenylmethoxybenzoate
CID 82186247
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 46617876
(2-oxo-2-propan-2-yloxyethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 55441877
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8694030
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7488815
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7488816

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate?
The IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate (CID 7196740) is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate is COc1cc(C(=O)O[C@@H](C)C(=O)NC(N)=O)ccc1OCc1ccccc1.
What is the InChIKey of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate?
The InChIKey is LJLOZKHONCXWDB-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-12(17(22)21-19(20)24)27-18(23)14-8-9-15(16(10-14)25-2)26-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H3,20,21,22,24)/t12-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate?
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate has a molecular weight of 372.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate is sourced from PubChem (CID 7196740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).