2-aminoacetamide;quinolin-2-yl hydrogen carbonate

C12H13N3O4 — CID 22446093

IUPAC2-aminoacetamide;quinolin-2-yl hydrogen carbonate
SMILESNCC(N)=O.O=C(O)Oc1ccc2ccccc2n1
InChIInChI=1S/C10H7NO3.C2H6N2O/c12-10(13)14-9-6-5-7-3-1-2-4-8(7)11-9;3-1-2(4)5/h1-6H,(H,12,13);1,3H2,(H2,4,5)
InChIKeyWZZHCHINBSOWGE-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.72
Rot. Bonds2

About 2-aminoacetamide;quinolin-2-yl hydrogen carbonate

2-aminoacetamide;quinolin-2-yl hydrogen carbonate (PubChem CID 22446093) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-aminoacetamide;quinolin-2-yl hydrogen carbonate.

Molecular Properties

Compound Name2-aminoacetamide;quinolin-2-yl hydrogen carbonate
PubChem CID22446093
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-aminoacetamide;quinolin-2-yl hydrogen carbonate
SMILESNCC(N)=O.O=C(O)Oc1ccc2ccccc2n1
InChIInChI=1S/C10H7NO3.C2H6N2O/c12-10(13)14-9-6-5-7-3-1-2-4-8(7)11-9;3-1-2(4)5/h1-6H,(H,12,13);1,3H2,(H2,4,5)
InChIKeyWZZHCHINBSOWGE-UHFFFAOYSA-N
XLogP0.72
TPSA128.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-quinolin-2-ylethanone
CID 23532024
2-quinolin-2-yloxyethanamine
CID 62348403
2-amino-N-quinolin-2-ylacetamide
CID 54505370
phosphane;2-quinolin-2-yloxyquinoline
CID 166708861
quinolin-2-yl hydrogen sulfite
CID 175245480
2-quinolin-2-yloxyethanol
CID 19898678
N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide
CID 112550703
2-quinolin-2-ylsulfanylacetamide
CID 2056006
quinolin-2-yl hypofluorite
CID 141219202
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
quinoline-2-carboxamide;hydrobromide
CID 141009871
quinolin-2-yl (2S)-2-(decanoylamino)propanoate
CID 91488832

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetamide;quinolin-2-yl hydrogen carbonate?
The IUPAC name of 2-aminoacetamide;quinolin-2-yl hydrogen carbonate (CID 22446093) is 2-aminoacetamide;quinolin-2-yl hydrogen carbonate.
What is the SMILES notation for 2-aminoacetamide;quinolin-2-yl hydrogen carbonate?
The canonical SMILES for 2-aminoacetamide;quinolin-2-yl hydrogen carbonate is NCC(N)=O.O=C(O)Oc1ccc2ccccc2n1.
What is the InChIKey of 2-aminoacetamide;quinolin-2-yl hydrogen carbonate?
The InChIKey is WZZHCHINBSOWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3.C2H6N2O/c12-10(13)14-9-6-5-7-3-1-2-4-8(7)11-9;3-1-2(4)5/h1-6H,(H,12,13);1,3H2,(H2,4,5).
What are the key properties of 2-aminoacetamide;quinolin-2-yl hydrogen carbonate?
2-aminoacetamide;quinolin-2-yl hydrogen carbonate has a molecular weight of 263.25 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetamide;quinolin-2-yl hydrogen carbonate is sourced from PubChem (CID 22446093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).