methyl (2R)-3-benzamido-2-hydroxypropanoate

C11H13NO4 — CID 100946416

IUPACmethyl (2R)-3-benzamido-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)CNC(=O)c1ccccc1
InChIInChI=1S/C11H13NO4/c1-16-11(15)9(13)7-12-10(14)8-5-3-2-4-6-8/h2-6,9,13H,7H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyBGHWQBZQHDNNPN-SECBINFHSA-N
MW223.23 g/mol
LogP-0.05
Rot. Bonds4

About methyl (2R)-3-benzamido-2-hydroxypropanoate

methyl (2R)-3-benzamido-2-hydroxypropanoate (PubChem CID 100946416) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl (2R)-3-benzamido-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-benzamido-2-hydroxypropanoate
PubChem CID100946416
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl (2R)-3-benzamido-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)CNC(=O)c1ccccc1
InChIInChI=1S/C11H13NO4/c1-16-11(15)9(13)7-12-10(14)8-5-3-2-4-6-8/h2-6,9,13H,7H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyBGHWQBZQHDNNPN-SECBINFHSA-N
XLogP-0.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-3-(pyridine-4-carbonylamino)propanoate
CID 103879367
methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate
CID 103879142
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
CID 113344182
methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate
CID 103879076
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
CID 103879318
2-[2-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-oxoethyl]benzoic acid
CID 107214934
methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107211629
methyl (2S,4S)-2,4,5-tribenzamidopentanoate
CID 14566783
methyl 2-hydroxy-3-[(3-phenyl-2-sulfanylidenepropanethioyl)amino]propanoate
CID 54510492
methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate
CID 103958098
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-benzamido-2-hydroxypropanoate?
The IUPAC name of methyl (2R)-3-benzamido-2-hydroxypropanoate (CID 100946416) is methyl (2R)-3-benzamido-2-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-3-benzamido-2-hydroxypropanoate?
The canonical SMILES for methyl (2R)-3-benzamido-2-hydroxypropanoate is COC(=O)[C@H](O)CNC(=O)c1ccccc1.
What is the InChIKey of methyl (2R)-3-benzamido-2-hydroxypropanoate?
The InChIKey is BGHWQBZQHDNNPN-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NO4/c1-16-11(15)9(13)7-12-10(14)8-5-3-2-4-6-8/h2-6,9,13H,7H2,1H3,(H,12,14)/t9-/m1/s1.
What are the key properties of methyl (2R)-3-benzamido-2-hydroxypropanoate?
methyl (2R)-3-benzamido-2-hydroxypropanoate has a molecular weight of 223.23 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-benzamido-2-hydroxypropanoate is sourced from PubChem (CID 100946416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).