2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid

C12H16N4O3 — CID 54946187

IUPAC2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid
SMILESCN(CC(=O)N(CC(=O)O)C1CC1)c1ncccn1
InChIInChI=1S/C12H16N4O3/c1-15(12-13-5-2-6-14-12)7-10(17)16(8-11(18)19)9-3-4-9/h2,5-6,9H,3-4,7-8H2,1H3,(H,18,19)
InChIKeyRPPZZCPUQZHBCL-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.01
Rot. Bonds6

About 2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid

2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid (PubChem CID 54946187) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid
PubChem CID54946187
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid
SMILESCN(CC(=O)N(CC(=O)O)C1CC1)c1ncccn1
InChIInChI=1S/C12H16N4O3/c1-15(12-13-5-2-6-14-12)7-10(17)16(8-11(18)19)9-3-4-9/h2,5-6,9H,3-4,7-8H2,1H3,(H,18,19)
InChIKeyRPPZZCPUQZHBCL-UHFFFAOYSA-N
XLogP-0.01
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid (CID 54946187) is 2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid is CN(CC(=O)N(CC(=O)O)C1CC1)c1ncccn1.
What is the InChIKey of 2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid?
The InChIKey is RPPZZCPUQZHBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-15(12-13-5-2-6-14-12)7-10(17)16(8-11(18)19)9-3-4-9/h2,5-6,9H,3-4,7-8H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid?
2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid has a molecular weight of 264.28 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 54946187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).