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

C9H10BrNO4S — CID 43623494

IUPACmethyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1csc(Br)c1
InChIInChI=1S/C9H10BrNO4S/c1-15-9(14)6(3-12)11-8(13)5-2-7(10)16-4-5/h2,4,6,12H,3H2,1H3,(H,11,13)
InChIKeyQNUHADPWPQETKM-UHFFFAOYSA-N
MW308.15 g/mol
LogP0.77
Rot. Bonds4

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

methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate (PubChem CID 43623494) has the molecular formula C9H10BrNO4S and a molecular weight of 308.15 g/mol. Its IUPAC name is methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate
PubChem CID43623494
Molecular FormulaC9H10BrNO4S
Molecular Weight308.15 g/mol
Exact Mass306.95
IUPAC Namemethyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1csc(Br)c1
InChIInChI=1S/C9H10BrNO4S/c1-15-9(14)6(3-12)11-8(13)5-2-7(10)16-4-5/h2,4,6,12H,3H2,1H3,(H,11,13)
InChIKeyQNUHADPWPQETKM-UHFFFAOYSA-N
XLogP0.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357752
methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate
CID 60735474
5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 115734936
2-[(5-bromothiophene-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786881
N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
CID 120505953
2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353273
methyl 2-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxypropanoate
CID 81472391
5-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-3-carboxamide
CID 95026928
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-3-hydroxypropanoate
CID 43407222
5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-hydroxypropanoate
CID 20624102
5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 107961893

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate (CID 43623494) is methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)c1csc(Br)c1.
What is the InChIKey of methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate?
The InChIKey is QNUHADPWPQETKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4S/c1-15-9(14)6(3-12)11-8(13)5-2-7(10)16-4-5/h2,4,6,12H,3H2,1H3,(H,11,13).
What are the key properties of methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate?
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate has a molecular weight of 308.15 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 43623494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).