(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid

C10H13N3O3 — CID 93274420

IUPAC(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccnc(N2CCC[C@H]2C(=O)O)n1
InChIInChI=1S/C10H13N3O3/c1-16-8-4-5-11-10(12-8)13-6-2-3-7(13)9(14)15/h4-5,7H,2-3,6H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyHZCOFZWNFVAUMQ-ZETCQYMHSA-N
MW223.23 g/mol
LogP0.54
Rot. Bonds3

About (2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid

(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 93274420) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID93274420
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccnc(N2CCC[C@H]2C(=O)O)n1
InChIInChI=1S/C10H13N3O3/c1-16-8-4-5-11-10(12-8)13-6-2-3-7(13)9(14)15/h4-5,7H,2-3,6H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyHZCOFZWNFVAUMQ-ZETCQYMHSA-N
XLogP0.54
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 112635932
N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 133290040
(2S)-1-[1-(4-methoxypyrimidin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125147498
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
CID 97075977
N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 133307077
1-[(2R)-2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758343
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
1-(2-methoxycarbonylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290681
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
ethyl 1-(4-propoxypyrimidin-2-yl)pyrrolidine-2-carboxylate
CID 115975575

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid (CID 93274420) is (2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid is COc1ccnc(N2CCC[C@H]2C(=O)O)n1.
What is the InChIKey of (2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is HZCOFZWNFVAUMQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-8-4-5-11-10(12-8)13-6-2-3-7(13)9(14)15/h4-5,7H,2-3,6H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid?
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 93274420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).