methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate

C13H16BrNO5 — CID 75448580

IUPACmethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate
SMILESCOCC(NC(=O)c1cc(OC)ccc1Br)C(=O)OC
InChIInChI=1S/C13H16BrNO5/c1-18-7-11(13(17)20-3)15-12(16)9-6-8(19-2)4-5-10(9)14/h4-6,11H,7H2,1-3H3,(H,15,16)
InChIKeySCVDIGZCCGUPHY-UHFFFAOYSA-N
MW346.18 g/mol
LogP1.38
Rot. Bonds6

About methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate

methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate (PubChem CID 75448580) has the molecular formula C13H16BrNO5 and a molecular weight of 346.18 g/mol. Its IUPAC name is methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate
PubChem CID75448580
Molecular FormulaC13H16BrNO5
Molecular Weight346.18 g/mol
Exact Mass345.02
IUPAC Namemethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate
SMILESCOCC(NC(=O)c1cc(OC)ccc1Br)C(=O)OC
InChIInChI=1S/C13H16BrNO5/c1-18-7-11(13(17)20-3)15-12(16)9-6-8(19-2)4-5-10(9)14/h4-6,11H,7H2,1-3H3,(H,15,16)
InChIKeySCVDIGZCCGUPHY-UHFFFAOYSA-N
XLogP1.38
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methylbutanoate
CID 43404116
N-(4-amino-4-oxobutan-2-yl)-2-bromo-5-methoxybenzamide
CID 115649764
methyl (2S)-2-[(4-bromo-3-methoxybenzoyl)amino]-3-methoxypropanoate
CID 59949158
2-bromo-N-(5-chloropentan-2-yl)-5-methoxybenzamide
CID 114305731
methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
CID 43422798
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-[4-(1-methyl-2-oxo-3-pyridinyl)phenyl]propanoate
CID 22382044
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
2-bromo-N-[(2R)-1-hydroxypent-4-yn-2-yl]-5-methoxybenzamide
CID 125419756
2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide
CID 114300077

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate?
The IUPAC name of methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate (CID 75448580) is methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate.
What is the SMILES notation for methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate?
The canonical SMILES for methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate is COCC(NC(=O)c1cc(OC)ccc1Br)C(=O)OC.
What is the InChIKey of methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate?
The InChIKey is SCVDIGZCCGUPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO5/c1-18-7-11(13(17)20-3)15-12(16)9-6-8(19-2)4-5-10(9)14/h4-6,11H,7H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate?
methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate has a molecular weight of 346.18 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate is sourced from PubChem (CID 75448580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).