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

C10H11BrN2O4 — CID 62959389

IUPACmethyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H11BrN2O4/c1-17-10(16)8(5-14)13-9(15)7-3-2-6(11)4-12-7/h2-4,8,14H,5H2,1H3,(H,13,15)
InChIKeyMOKDMOGXWSJPPP-UHFFFAOYSA-N
MW303.11 g/mol
LogP0.11
Rot. Bonds4

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

methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate (PubChem CID 62959389) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate
PubChem CID62959389
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Namemethyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H11BrN2O4/c1-17-10(16)8(5-14)13-9(15)7-3-2-6(11)4-12-7/h2-4,8,14H,5H2,1H3,(H,13,15)
InChIKeyMOKDMOGXWSJPPP-UHFFFAOYSA-N
XLogP0.11
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[(5-bromo-4-chloropyridine-2-carbonyl)amino]-3-hydroxypropanoate
CID 154765022
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 94903176
methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate
CID 43405671
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 62959310
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
2-[(5-bromopyridine-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 62960210
5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide
CID 114294391
N-(4-amino-4-sulfanylidenebutan-2-yl)-5-bromopyridine-2-carboxamide
CID 62960438
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073
methyl (2R)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-hydroxypropanoate
CID 9277942

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate (CID 62959389) is methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)c1ccc(Br)cn1.
What is the InChIKey of methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate?
The InChIKey is MOKDMOGXWSJPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c1-17-10(16)8(5-14)13-9(15)7-3-2-6(11)4-12-7/h2-4,8,14H,5H2,1H3,(H,13,15).
What are the key properties of methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate?
methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate has a molecular weight of 303.11 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 62959389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).