2-(phenoxycarbonylamino)-2-phenylpropanoic acid

C16H15NO4 — CID 62489572

IUPAC2-(phenoxycarbonylamino)-2-phenylpropanoic acid
SMILESCC(NC(=O)Oc1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-16(14(18)19,12-8-4-2-5-9-12)17-15(20)21-13-10-6-3-7-11-13/h2-11H,1H3,(H,17,20)(H,18,19)
InChIKeyYZQAEILPSTTZJT-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.78
Rot. Bonds4

About 2-(phenoxycarbonylamino)-2-phenylpropanoic acid

2-(phenoxycarbonylamino)-2-phenylpropanoic acid (PubChem CID 62489572) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(phenoxycarbonylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(phenoxycarbonylamino)-2-phenylpropanoic acid
PubChem CID62489572
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(phenoxycarbonylamino)-2-phenylpropanoic acid
SMILESCC(NC(=O)Oc1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-16(14(18)19,12-8-4-2-5-9-12)17-15(20)21-13-10-6-3-7-11-13/h2-11H,1H3,(H,17,20)(H,18,19)
InChIKeyYZQAEILPSTTZJT-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid
CID 65266350
phenyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059186
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 79793085
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate
CID 61121026
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
CID 91476409
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 101134565
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate
CID 174910098

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxycarbonylamino)-2-phenylpropanoic acid?
The IUPAC name of 2-(phenoxycarbonylamino)-2-phenylpropanoic acid (CID 62489572) is 2-(phenoxycarbonylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(phenoxycarbonylamino)-2-phenylpropanoic acid?
The canonical SMILES for 2-(phenoxycarbonylamino)-2-phenylpropanoic acid is CC(NC(=O)Oc1ccccc1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(phenoxycarbonylamino)-2-phenylpropanoic acid?
The InChIKey is YZQAEILPSTTZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-16(14(18)19,12-8-4-2-5-9-12)17-15(20)21-13-10-6-3-7-11-13/h2-11H,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(phenoxycarbonylamino)-2-phenylpropanoic acid?
2-(phenoxycarbonylamino)-2-phenylpropanoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxycarbonylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 62489572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).