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

C10H12ClN3O4 — CID 114046104

IUPACmethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1cc(N)cnc1Cl
InChIInChI=1S/C10H12ClN3O4/c1-18-10(17)7(15)4-14-9(16)6-2-5(12)3-13-8(6)11/h2-3,7,15H,4,12H2,1H3,(H,14,16)
InChIKeyZKCSAKCGIYOTHY-UHFFFAOYSA-N
MW273.68 g/mol
LogP-0.42
Rot. Bonds4

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

methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate (PubChem CID 114046104) has the molecular formula C10H12ClN3O4 and a molecular weight of 273.68 g/mol. Its IUPAC name is methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate
PubChem CID114046104
Molecular FormulaC10H12ClN3O4
Molecular Weight273.68 g/mol
Exact Mass273.05
IUPAC Namemethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1cc(N)cnc1Cl
InChIInChI=1S/C10H12ClN3O4/c1-18-10(17)7(15)4-14-9(16)6-2-5(12)3-13-8(6)11/h2-3,7,15H,4,12H2,1H3,(H,14,16)
InChIKeyZKCSAKCGIYOTHY-UHFFFAOYSA-N
XLogP-0.42
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide
CID 114046062
ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate
CID 114045972
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide
CID 114045919
5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
CID 106332653
5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 106139343
methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 103958201
N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide
CID 106164488
5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 114045976
methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107211629
methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107222746
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate
CID 113344254

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate (CID 114046104) is methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1cc(N)cnc1Cl.
What is the InChIKey of methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate?
The InChIKey is ZKCSAKCGIYOTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4/c1-18-10(17)7(15)4-14-9(16)6-2-5(12)3-13-8(6)11/h2-3,7,15H,4,12H2,1H3,(H,14,16).
What are the key properties of methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate?
methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate has a molecular weight of 273.68 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 114046104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).