2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid

C15H24N4O2 — CID 125445921

IUPAC2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid
SMILESCCC[C@@H]1CCCN1Cc1cnc(N(C)CC(=O)O)nc1
InChIInChI=1S/C15H24N4O2/c1-3-5-13-6-4-7-19(13)10-12-8-16-15(17-9-12)18(2)11-14(20)21/h8-9,13H,3-7,10-11H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyMXIAGGZTRGPDJA-CYBMUJFWSA-N
MW292.38 g/mol
LogP1.76
Rot. Bonds7

About 2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid

2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid (PubChem CID 125445921) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid
PubChem CID125445921
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid
SMILESCCC[C@@H]1CCCN1Cc1cnc(N(C)CC(=O)O)nc1
InChIInChI=1S/C15H24N4O2/c1-3-5-13-6-4-7-19(13)10-12-8-16-15(17-9-12)18(2)11-14(20)21/h8-9,13H,3-7,10-11H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyMXIAGGZTRGPDJA-CYBMUJFWSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid (CID 125445921) is 2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid is CCC[C@@H]1CCCN1Cc1cnc(N(C)CC(=O)O)nc1.
What is the InChIKey of 2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid?
The InChIKey is MXIAGGZTRGPDJA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-5-13-6-4-7-19(13)10-12-8-16-15(17-9-12)18(2)11-14(20)21/h8-9,13H,3-7,10-11H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid?
2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-[[(2R)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 125445921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).