methyl 2-formamido-3-phenylpropanoate

C11H13NO3 — CID 595529

IUPACmethyl 2-formamido-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC=O
InChIInChI=1S/C11H13NO3/c1-15-11(14)10(12-8-13)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13)
InChIKeyOPHMCBWUQRAKEO-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.52
Rot. Bonds5

About methyl 2-formamido-3-phenylpropanoate

methyl 2-formamido-3-phenylpropanoate (PubChem CID 595529) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 2-formamido-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-formamido-3-phenylpropanoate
PubChem CID595529
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 2-formamido-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC=O
InChIInChI=1S/C11H13NO3/c1-15-11(14)10(12-8-13)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13)
InChIKeyOPHMCBWUQRAKEO-UHFFFAOYSA-N
XLogP0.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
methyl 2-formamido-3-(4-pyrrol-1-ylphenyl)propanoate
CID 13021406
2,2,2-trifluoroethyl (2S)-2-formamido-3-phenylpropanoate
CID 91059743
2-formamido-N-methyl-3-phenylpropanamide
CID 14245854
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 15499312
(3S)-3-formamido-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-4-oxobutanoic acid
CID 54544180
methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145
methyl 2-formamido-3-(3-nitrophenyl)propanoate
CID 23458865
methyl 3-(4-butoxyphenyl)-2-formamidopropanoate
CID 90060303
ethane;methyl 2-formamido-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
CID 143275907
5-O-benzyl 1-O-methyl 2-formamidopentanedioate
CID 143275903
methyl (2S)-3-phenyl-2-[[(Z)-4,4,4-trichloro-3-oxobut-1-enyl]amino]propanoate
CID 101210331

Frequently Asked Questions

What is the IUPAC name of methyl 2-formamido-3-phenylpropanoate?
The IUPAC name of methyl 2-formamido-3-phenylpropanoate (CID 595529) is methyl 2-formamido-3-phenylpropanoate.
What is the SMILES notation for methyl 2-formamido-3-phenylpropanoate?
The canonical SMILES for methyl 2-formamido-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC=O.
What is the InChIKey of methyl 2-formamido-3-phenylpropanoate?
The InChIKey is OPHMCBWUQRAKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-11(14)10(12-8-13)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,12,13).
What are the key properties of methyl 2-formamido-3-phenylpropanoate?
methyl 2-formamido-3-phenylpropanoate has a molecular weight of 207.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formamido-3-phenylpropanoate is sourced from PubChem (CID 595529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).