2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate

C16H14NO5- — CID 54711881

IUPAC2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1ccc([O-])c(C(=O)O)c1
InChIInChI=1S/C16H15NO5/c1-10(22-12-5-3-2-4-6-12)15(19)17-11-7-8-14(18)13(9-11)16(20)21/h2-10,18H,1H3,(H,17,19)(H,20,21)/p-1/t10-/m1/s1
InChIKeyOUQGQHDRYGZFFG-SNVBAGLBSA-M
MW300.29 g/mol
LogP1.86
Rot. Bonds5

About 2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate

2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate (PubChem CID 54711881) has the molecular formula C16H14NO5- and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate.

Molecular Properties

Compound Name2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate
PubChem CID54711881
Molecular FormulaC16H14NO5-
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1ccc([O-])c(C(=O)O)c1
InChIInChI=1S/C16H15NO5/c1-10(22-12-5-3-2-4-6-12)15(19)17-11-7-8-14(18)13(9-11)16(20)21/h2-10,18H,1H3,(H,17,19)(H,20,21)/p-1/t10-/m1/s1
InChIKeyOUQGQHDRYGZFFG-SNVBAGLBSA-M
XLogP1.86
TPSA98.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide
CID 670052
5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylic acid
CID 878338
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-(4-acetamido-3-methylphenyl)-2-phenoxypropanamide
CID 46550285
N-(3,5-dichlorophenyl)-2-phenoxypropanamide
CID 2886890
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
(2R)-2-phenoxy-N-[4-[4-[[(2R)-2-phenoxypropanoyl]amino]phenyl]sulfinylphenyl]propanamide
CID 1352725

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate?
The IUPAC name of 2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate (CID 54711881) is 2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate.
What is the SMILES notation for 2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate?
The canonical SMILES for 2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate is C[C@@H](Oc1ccccc1)C(=O)Nc1ccc([O-])c(C(=O)O)c1.
What is the InChIKey of 2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate?
The InChIKey is OUQGQHDRYGZFFG-SNVBAGLBSA-M. The full InChI is InChI=1S/C16H15NO5/c1-10(22-12-5-3-2-4-6-12)15(19)17-11-7-8-14(18)13(9-11)16(20)21/h2-10,18H,1H3,(H,17,19)(H,20,21)/p-1/t10-/m1/s1.
What are the key properties of 2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate?
2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate has a molecular weight of 300.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate is sourced from PubChem (CID 54711881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).