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

C12H17N3O3 — CID 136958480

IUPAC2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCCc1nc(N(CC(=O)O)CC2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-2-9-13-10(5-11(16)14-9)15(7-12(17)18)6-8-3-4-8/h5,8H,2-4,6-7H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyKOZNNUAFHZFTGN-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.63
Rot. Bonds6

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

2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958480) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958480
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCCc1nc(N(CC(=O)O)CC2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-2-9-13-10(5-11(16)14-9)15(7-12(17)18)6-8-3-4-8/h5,8H,2-4,6-7H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyKOZNNUAFHZFTGN-UHFFFAOYSA-N
XLogP0.63
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958480) is 2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is CCc1nc(N(CC(=O)O)CC2CC2)cc(=O)[nH]1.
What is the InChIKey of 2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is KOZNNUAFHZFTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-9-13-10(5-11(16)14-9)15(7-12(17)18)6-8-3-4-8/h5,8H,2-4,6-7H2,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).