2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid

C10H13N3O4 — CID 66287387

IUPAC2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid
SMILESCCN(CC(=O)O)c1ccnc(C(=O)OC)n1
InChIInChI=1S/C10H13N3O4/c1-3-13(6-8(14)15)7-4-5-11-9(12-7)10(16)17-2/h4-5H,3,6H2,1-2H3,(H,14,15)
InChIKeyYQQXVLSRJCHBRJ-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.17
Rot. Bonds5

About 2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid

2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid (PubChem CID 66287387) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid
PubChem CID66287387
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid
SMILESCCN(CC(=O)O)c1ccnc(C(=O)OC)n1
InChIInChI=1S/C10H13N3O4/c1-3-13(6-8(14)15)7-4-5-11-9(12-7)10(16)17-2/h4-5H,3,6H2,1-2H3,(H,14,15)
InChIKeyYQQXVLSRJCHBRJ-UHFFFAOYSA-N
XLogP0.17
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrimidine-2-carboxylic acid
CID 12626245
2-Pyrimidinecarboxylic acid, methyl ester
CID 3613871
4-Aminopyrimidine-2-carboxylic acid
CID 22172594
4-Chloropyrimidine-2-carboxylic acid
CID 46911845
Methyl 4-chloropyrimidine-2-carboxylate
CID 64989066
Methyl 2-(pyrimidin-2-yl)acetate
CID 12420762
Methyl 4-aminopyrimidine-2-carboxylate
CID 13060221
4-Bromopyrimidine-2-carboxylic acid
CID 22710448
Methyl 5-fluoropyrimidine-2-carboxylate
CID 53299269
Methyl 5-methylpyrimidine-2-carboxylate
CID 53429432
Ethyl 4-chloropyrimidine-2-carboxylate
CID 55264132
Methyl 4-bromopyrimidine-2-carboxylate
CID 65810017

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid (CID 66287387) is 2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid is CCN(CC(=O)O)c1ccnc(C(=O)OC)n1.
What is the InChIKey of 2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is YQQXVLSRJCHBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-3-13(6-8(14)15)7-4-5-11-9(12-7)10(16)17-2/h4-5H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid?
2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 66287387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).