2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid

C8H11N3O3 — CID 83880025

IUPAC2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid
SMILESCCOc1cc(C(N)C(=O)O)ncn1
InChIInChI=1S/C8H11N3O3/c1-2-14-6-3-5(10-4-11-6)7(9)8(12)13/h3-4,7H,2,9H2,1H3,(H,12,13)
InChIKeyNMBKSEZUIBZHDV-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.04
Rot. Bonds4

About 2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid

2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid (PubChem CID 83880025) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid
PubChem CID83880025
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid
SMILESCCOc1cc(C(N)C(=O)O)ncn1
InChIInChI=1S/C8H11N3O3/c1-2-14-6-3-5(10-4-11-6)7(9)8(12)13/h3-4,7H,2,9H2,1H3,(H,12,13)
InChIKeyNMBKSEZUIBZHDV-UHFFFAOYSA-N
XLogP-0.04
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81077788
2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid
CID 104572083
2-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474919
methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 66320574
6-ethoxypyrimidin-4-amine;hydrochloride
CID 169439907
3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine
CID 66318350
2-amino-2-(4-methyl-2-pyridinyl)acetic acid
CID 55293255
(2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide
CID 133485696
2-(6-methoxypyrimidin-4-yl)pentan-3-one
CID 66319706
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959
2-amino-2-pyrimidin-4-ylacetic acid
CID 23132468

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid (CID 83880025) is 2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid is CCOc1cc(C(N)C(=O)O)ncn1.
What is the InChIKey of 2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid?
The InChIKey is NMBKSEZUIBZHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-14-6-3-5(10-4-11-6)7(9)8(12)13/h3-4,7H,2,9H2,1H3,(H,12,13).
What are the key properties of 2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid?
2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid has a molecular weight of 197.19 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83880025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).