(2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid

C14H22N2O2 — CID 69392541

IUPAC(2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid
SMILESCCCCCCC[C@@H](C(=O)O)c1cnc(C)nc1
InChIInChI=1S/C14H22N2O2/c1-3-4-5-6-7-8-13(14(17)18)12-9-15-11(2)16-10-12/h9-10,13H,3-8H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyPQOIECZBNUZVIT-CYBMUJFWSA-N
MW250.34 g/mol
LogP3.31
Rot. Bonds8

About (2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid

(2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid (PubChem CID 69392541) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid
PubChem CID69392541
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid
SMILESCCCCCCC[C@@H](C(=O)O)c1cnc(C)nc1
InChIInChI=1S/C14H22N2O2/c1-3-4-5-6-7-8-13(14(17)18)12-9-15-11(2)16-10-12/h9-10,13H,3-8H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyPQOIECZBNUZVIT-CYBMUJFWSA-N
XLogP3.31
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S*,4S*)-4-cyclopropyl-1-(5-ethyl-2-methyl-4-pyrimidinyl)-3-pyrrolidinecarboxylic acid
CID 133111171
(3S*,4S*)-4-cyclopropyl-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 133119913
3-Methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 14718748
3,3-Dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pentanoic acid
CID 20060707
3,3-Dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 20060749
2-(1-Methylcyclopropyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 20060770
2-(2-Tert-butyl-4-fluoropyrimidin-5-yl)-3-methylbutanoic acid
CID 21298136
(2S)-3,3-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 67927986
(2S)-3-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 67928003
3-Methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 70414147
(2S)-2-(2-tert-butyl-4-fluoropyrimidin-5-yl)-3-methylbutanoic acid
CID 70419799
4,4-Difluoro-1-(2-methylpyrimidin-5-yl)cyclohexanecarboxylic acid
CID 86716209

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid?
The IUPAC name of (2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid (CID 69392541) is (2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid.
What is the SMILES notation for (2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid?
The canonical SMILES for (2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid is CCCCCCC[C@@H](C(=O)O)c1cnc(C)nc1.
What is the InChIKey of (2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid?
The InChIKey is PQOIECZBNUZVIT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-5-6-7-8-13(14(17)18)12-9-15-11(2)16-10-12/h9-10,13H,3-8H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid?
(2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpyrimidin-5-yl)nonanoic acid is sourced from PubChem (CID 69392541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).