[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate

C18H18N2O5 — CID 7833356

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C18H18N2O5/c1-12(17(19)22)24-16(21)11-20-18(23)13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H2,19,22)(H,20,23)/t12-/m1/s1
InChIKeyAAHFWUVCILTDLY-GFCCVEGCSA-N
MW342.35 g/mol
LogP1.63
Rot. Bonds7

About [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate

[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 7833356) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID7833356
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C18H18N2O5/c1-12(17(19)22)24-16(21)11-20-18(23)13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H2,19,22)(H,20,23)/t12-/m1/s1
InChIKeyAAHFWUVCILTDLY-GFCCVEGCSA-N
XLogP1.63
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833353
(2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 16596540
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854498
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885655
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833361
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877831
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921292
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270269
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783210
N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide
CID 141018684
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate (CID 7833356) is [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate is C[C@@H](OC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is AAHFWUVCILTDLY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-12(17(19)22)24-16(21)11-20-18(23)13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H2,19,22)(H,20,23)/t12-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 342.35 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 7833356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).