[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate

C19H20N2O6 — CID 2595758

IUPAC[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate
SMILESC[C@H](OC(=O)c1ccccc1OCCOc1ccccc1)C(=O)NC(N)=O
InChIInChI=1S/C19H20N2O6/c1-13(17(22)21-19(20)24)27-18(23)15-9-5-6-10-16(15)26-12-11-25-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H3,20,21,22,24)/t13-/m0/s1
InChIKeyKUIPOELWXLOBQD-ZDUSSCGKSA-N
MW372.38 g/mol
LogP1.88
Rot. Bonds8

About [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate (PubChem CID 2595758) 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] 2-(2-phenoxyethoxy)benzoate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate
PubChem CID2595758
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate
SMILESC[C@H](OC(=O)c1ccccc1OCCOc1ccccc1)C(=O)NC(N)=O
InChIInChI=1S/C19H20N2O6/c1-13(17(22)21-19(20)24)27-18(23)15-9-5-6-10-16(15)26-12-11-25-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H3,20,21,22,24)/t13-/m0/s1
InChIKeyKUIPOELWXLOBQD-ZDUSSCGKSA-N
XLogP1.88
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate
CID 8921710
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797960
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
CID 2609828
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 7760772
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2652492
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 7718152
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2595744
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474
[1-(carbamoylamino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 16523519
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 2513592
[(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606844
(4-butan-2-ylphenyl) 2-(2-phenoxyethoxy)benzoate
CID 23012070

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate?
The IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate (CID 2595758) is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate is C[C@H](OC(=O)c1ccccc1OCCOc1ccccc1)C(=O)NC(N)=O.
What is the InChIKey of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate?
The InChIKey is KUIPOELWXLOBQD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-13(17(22)21-19(20)24)27-18(23)15-9-5-6-10-16(15)26-12-11-25-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H3,20,21,22,24)/t13-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate?
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate has a molecular weight of 372.38 g/mol, XLogP of 1.88, 8 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] 2-(2-phenoxyethoxy)benzoate is sourced from PubChem (CID 2595758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).