(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid

C18H21N3O2 — CID 124751059

IUPAC(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
SMILESCCc1ncc(CN2CC[C@@](C(=O)O)(c3ccccc3)C2)cn1
InChIInChI=1S/C18H21N3O2/c1-2-16-19-10-14(11-20-16)12-21-9-8-18(13-21,17(22)23)15-6-4-3-5-7-15/h3-7,10-11H,2,8-9,12-13H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyFSICRSRNWWQVHP-SFHVURJKSA-N
MW311.39 g/mol
LogP2.27
Rot. Bonds5

About (3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid

(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid (PubChem CID 124751059) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
PubChem CID124751059
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
SMILESCCc1ncc(CN2CC[C@@](C(=O)O)(c3ccccc3)C2)cn1
InChIInChI=1S/C18H21N3O2/c1-2-16-19-10-14(11-20-16)12-21-9-8-18(13-21,17(22)23)15-6-4-3-5-7-15/h3-7,10-11H,2,8-9,12-13H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyFSICRSRNWWQVHP-SFHVURJKSA-N
XLogP2.27
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92589293
(3R)-N-ethyl-1-[(2-ethylpyrimidin-5-yl)methyl]-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92589296
1-[(3-carboxy-4-methoxyphenyl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 91836844
1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 146144702
1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70776089
1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid
CID 70710195
1-[(2-ethylpyrimidin-5-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 171667355
1-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 167799336
(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92589298
1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid
CID 65072209
1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
CID 67764311
1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
CID 91252279

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid (CID 124751059) is (3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid is CCc1ncc(CN2CC[C@@](C(=O)O)(c3ccccc3)C2)cn1.
What is the InChIKey of (3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is FSICRSRNWWQVHP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-16-19-10-14(11-20-16)12-21-9-8-18(13-21,17(22)23)15-6-4-3-5-7-15/h3-7,10-11H,2,8-9,12-13H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid?
(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 311.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124751059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).