methyl 2-[(4-bromobenzoyl)amino]propanoate

C11H12BrNO3 — CID 531405

IUPACmethyl 2-[(4-bromobenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO3/c1-7(11(15)16-2)13-10(14)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14)
InChIKeySMEWLRMRAWWXPJ-UHFFFAOYSA-N
MW286.13 g/mol
LogP1.74
Rot. Bonds3

About methyl 2-[(4-bromobenzoyl)amino]propanoate

methyl 2-[(4-bromobenzoyl)amino]propanoate (PubChem CID 531405) has the molecular formula C11H12BrNO3 and a molecular weight of 286.13 g/mol. Its IUPAC name is methyl 2-[(4-bromobenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-bromobenzoyl)amino]propanoate
PubChem CID531405
Molecular FormulaC11H12BrNO3
Molecular Weight286.13 g/mol
Exact Mass285.00
IUPAC Namemethyl 2-[(4-bromobenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO3/c1-7(11(15)16-2)13-10(14)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14)
InChIKeySMEWLRMRAWWXPJ-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-bromobenzoyl)amino]propanoate
CID 19166830
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439
2-oxopropyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880148
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl (2S)-2-[[4-[[4-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]propanoate
CID 122226545
methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 59786000
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
CID 103882309
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020
methyl (2S)-2-[(4-bromobenzoyl)amino]-4-methoxybutanoate
CID 59948655
methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate
CID 7996479
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]propanoate
CID 60669043

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-bromobenzoyl)amino]propanoate?
The IUPAC name of methyl 2-[(4-bromobenzoyl)amino]propanoate (CID 531405) is methyl 2-[(4-bromobenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(4-bromobenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-[(4-bromobenzoyl)amino]propanoate is COC(=O)C(C)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of methyl 2-[(4-bromobenzoyl)amino]propanoate?
The InChIKey is SMEWLRMRAWWXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-7(11(15)16-2)13-10(14)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14).
What are the key properties of methyl 2-[(4-bromobenzoyl)amino]propanoate?
methyl 2-[(4-bromobenzoyl)amino]propanoate has a molecular weight of 286.13 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-bromobenzoyl)amino]propanoate is sourced from PubChem (CID 531405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).