2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid

C15H24N4O2 — CID 122558273

IUPAC2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid
SMILESCN(Cc1cnc(N(C)CC(=O)O)nc1)CC1CCCC1
InChIInChI=1S/C15H24N4O2/c1-18(9-12-5-3-4-6-12)10-13-7-16-15(17-8-13)19(2)11-14(20)21/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,21)
InChIKeyIARSWVKMGQJMOI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.62
Rot. Bonds7

About 2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid

2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid (PubChem CID 122558273) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid
PubChem CID122558273
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid
SMILESCN(Cc1cnc(N(C)CC(=O)O)nc1)CC1CCCC1
InChIInChI=1S/C15H24N4O2/c1-18(9-12-5-3-4-6-12)10-13-7-16-15(17-8-13)19(2)11-14(20)21/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,21)
InChIKeyIARSWVKMGQJMOI-UHFFFAOYSA-N
XLogP1.62
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid (CID 122558273) is 2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid is CN(Cc1cnc(N(C)CC(=O)O)nc1)CC1CCCC1.
What is the InChIKey of 2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid?
The InChIKey is IARSWVKMGQJMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18(9-12-5-3-4-6-12)10-13-7-16-15(17-8-13)19(2)11-14(20)21/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid?
2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[cyclopentylmethyl(methyl)amino]methyl]pyrimidin-2-yl]-methylamino]acetic acid is sourced from PubChem (CID 122558273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).