2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid

C10H15N3O3 — CID 136959296

IUPAC2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCCC(CC)(Nc1cc(=O)[nH]cn1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-10(4-2,9(15)16)13-7-5-8(14)12-6-11-7/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyDEAVJODMTDFMKU-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.83
Rot. Bonds5

About 2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid

2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (PubChem CID 136959296) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
PubChem CID136959296
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCCC(CC)(Nc1cc(=O)[nH]cn1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-10(4-2,9(15)16)13-7-5-8(14)12-6-11-7/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyDEAVJODMTDFMKU-UHFFFAOYSA-N
XLogP0.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136959290
2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958432
2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958466
2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958471
2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958599
1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958606
3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958670
4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958681
2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958705
4-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958722
2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958766
2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958786

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (CID 136959296) is 2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is CCC(CC)(Nc1cc(=O)[nH]cn1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is DEAVJODMTDFMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-10(4-2,9(15)16)13-7-5-8(14)12-6-11-7/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 136959296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).