(1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate

C10H13N3O3 — CID 61321689

IUPAC(1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate
SMILESCc1ncc(N)cc1C(=O)OC(C)C(N)=O
InChIInChI=1S/C10H13N3O3/c1-5-8(3-7(11)4-13-5)10(15)16-6(2)9(12)14/h3-4,6H,11H2,1-2H3,(H2,12,14)
InChIKeyQGFHGLKRWMWKRO-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.00
Rot. Bonds3

About (1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate

(1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate (PubChem CID 61321689) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate
PubChem CID61321689
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate
SMILESCc1ncc(N)cc1C(=O)OC(C)C(N)=O
InChIInChI=1S/C10H13N3O3/c1-5-8(3-7(11)4-13-5)10(15)16-6(2)9(12)14/h3-4,6H,11H2,1-2H3,(H2,12,14)
InChIKeyQGFHGLKRWMWKRO-UHFFFAOYSA-N
XLogP0.00
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate
CID 82930895
propan-2-yl 5-amino-2-iodopyridine-3-carboxylate
CID 133055734
5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 61040311
[2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate
CID 61490232
[(2S)-1-amino-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 2584735
methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate
CID 54917349
(1-amino-1-oxopropan-2-yl) 2-aminobenzoate
CID 60625431
[(2S)-1-amino-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7568080
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61108035
thiophen-3-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
CID 61323017
[(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 41379743
5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide
CID 61105565

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate (CID 61321689) is (1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate is Cc1ncc(N)cc1C(=O)OC(C)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate?
The InChIKey is QGFHGLKRWMWKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-5-8(3-7(11)4-13-5)10(15)16-6(2)9(12)14/h3-4,6H,11H2,1-2H3,(H2,12,14).
What are the key properties of (1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate?
(1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 61321689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).