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

methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate
CID 66285332
4-[(2-methoxycarbonylpyrimidin-4-yl)-methylamino]benzoic acid
CID 104698475
methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate
CID 66287348
2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106536025
2-[(2-methoxycarbonylpyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 79792394
methyl 4-tert-butylpyrimidine-2-carboxylate
CID 116901231
methyl 4-chloropyrimidine-2-carboxylate
CID 64989066
methyl 4-(3-chloropropyl)pyrimidine-2-carboxylate
CID 141400415
methyl 4-[(3-aminophenyl)methyl-methylamino]pyrimidine-2-carboxylate
CID 66286930
2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid
CID 114074920
N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80805066
2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80896435

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).