2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid

C11H15N3O2 — CID 124954393

IUPAC2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
SMILESCc1ccnc([C@@H]2CCN(CC(=O)O)C2)n1
InChIInChI=1S/C11H15N3O2/c1-8-2-4-12-11(13-8)9-3-5-14(6-9)7-10(15)16/h2,4,9H,3,5-7H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyFCGFWQCNCMNSLF-SECBINFHSA-N
MW221.26 g/mol
LogP0.66
Rot. Bonds3

About 2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid

2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid (PubChem CID 124954393) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
PubChem CID124954393
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
SMILESCc1ccnc([C@@H]2CCN(CC(=O)O)C2)n1
InChIInChI=1S/C11H15N3O2/c1-8-2-4-12-11(13-8)9-3-5-14(6-9)7-10(15)16/h2,4,9H,3,5-7H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyFCGFWQCNCMNSLF-SECBINFHSA-N
XLogP0.66
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 127246548
4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 125003047
4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 110103697
4-methyl-2-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 124999909
4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine
CID 95821351
4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 124999428
4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine
CID 95841795
4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine
CID 95841796
4-methyl-2-[1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 110103691
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 129406988
4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 124947102

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid (CID 124954393) is 2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid is Cc1ccnc([C@@H]2CCN(CC(=O)O)C2)n1.
What is the InChIKey of 2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid?
The InChIKey is FCGFWQCNCMNSLF-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-2-4-12-11(13-8)9-3-5-14(6-9)7-10(15)16/h2,4,9H,3,5-7H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid?
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 124954393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).