methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate

C11H13BrN2O6 — CID 43406149

IUPACmethyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H13BrN2O6/c1-19-11(18)6(5-15)14-9(16)4-13-10(17)7-2-3-8(12)20-7/h2-3,6,15H,4-5H2,1H3,(H,13,17)(H,14,16)
InChIKeyZZEIKIGCKDGUNY-UHFFFAOYSA-N
MW349.14 g/mol
LogP-0.58
Rot. Bonds6

About methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate

methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate (PubChem CID 43406149) has the molecular formula C11H13BrN2O6 and a molecular weight of 349.14 g/mol. Its IUPAC name is methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate
PubChem CID43406149
Molecular FormulaC11H13BrN2O6
Molecular Weight349.14 g/mol
Exact Mass348.00
IUPAC Namemethyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H13BrN2O6/c1-19-11(18)6(5-15)14-9(16)4-13-10(17)7-2-3-8(12)20-7/h2-3,6,15H,4-5H2,1H3,(H,13,17)(H,14,16)
InChIKeyZZEIKIGCKDGUNY-UHFFFAOYSA-N
XLogP-0.58
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 65309872
(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 107564357
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 9277655
5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
CID 114618727
5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide
CID 43011607
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide
CID 81434793

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate (CID 43406149) is methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate?
The InChIKey is ZZEIKIGCKDGUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O6/c1-19-11(18)6(5-15)14-9(16)4-13-10(17)7-2-3-8(12)20-7/h2-3,6,15H,4-5H2,1H3,(H,13,17)(H,14,16).
What are the key properties of methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate?
methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate has a molecular weight of 349.14 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 43406149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).