2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid

C13H19N3O2 — CID 115529556

IUPAC2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
SMILESCc1nccc(CN(CC(=O)O)C2CCCC2)n1
InChIInChI=1S/C13H19N3O2/c1-10-14-7-6-11(15-10)8-16(9-13(17)18)12-4-2-3-5-12/h6-7,12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyFUTOCLVBBVVGRQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.61
Rot. Bonds5

About 2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid

2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid (PubChem CID 115529556) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
PubChem CID115529556
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
SMILESCc1nccc(CN(CC(=O)O)C2CCCC2)n1
InChIInChI=1S/C13H19N3O2/c1-10-14-7-6-11(15-10)8-16(9-13(17)18)12-4-2-3-5-12/h6-7,12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyFUTOCLVBBVVGRQ-UHFFFAOYSA-N
XLogP1.61
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid (CID 115529556) is 2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid is Cc1nccc(CN(CC(=O)O)C2CCCC2)n1.
What is the InChIKey of 2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid?
The InChIKey is FUTOCLVBBVVGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-14-7-6-11(15-10)8-16(9-13(17)18)12-4-2-3-5-12/h6-7,12H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid?
2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid is sourced from PubChem (CID 115529556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).