methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate

C17H17NO5 — CID 9277490

IUPACmethyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H17NO5/c1-22-17(21)15(11-19)18-16(20)12-6-5-9-14(10-12)23-13-7-3-2-4-8-13/h2-10,15,19H,11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyZONPWSLDCSHJDH-HNNXBMFYSA-N
MW315.33 g/mol
LogP1.74
Rot. Bonds6

About methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate

methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate (PubChem CID 9277490) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate
PubChem CID9277490
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Namemethyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H17NO5/c1-22-17(21)15(11-19)18-16(20)12-6-5-9-14(10-12)23-13-7-3-2-4-8-13/h2-10,15,19H,11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyZONPWSLDCSHJDH-HNNXBMFYSA-N
XLogP1.74
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pentan-3-yl-3-phenoxybenzamide
CID 2442055
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
CID 78773277
methyl (2R)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-hydroxypropanoate
CID 9277736
methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
CID 66912841
methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate
CID 43407067
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-hydroxypropanoate
CID 9277507
methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate
CID 9277581
N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide
CID 86813866
methyl 2-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxypropanoate
CID 81472391
methyl (2S)-2-[(3-iodobenzoyl)amino]-3-phenylpropanoate
CID 8010917
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate (CID 9277490) is methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate is COC(=O)[C@H](CO)NC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate?
The InChIKey is ZONPWSLDCSHJDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-22-17(21)15(11-19)18-16(20)12-6-5-9-14(10-12)23-13-7-3-2-4-8-13/h2-10,15,19H,11H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate?
methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate has a molecular weight of 315.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate is sourced from PubChem (CID 9277490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).