(2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid

C9H11N3O2 — CID 1442063

IUPAC(2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ncccn1
InChIInChI=1S/C9H11N3O2/c13-8(14)7-3-1-6-12(7)9-10-4-2-5-11-9/h2,4-5,7H,1,3,6H2,(H,13,14)/t7-/m0/s1
InChIKeyUKGYNTRXPAKSOG-ZETCQYMHSA-N
MW193.21 g/mol
LogP0.53
Rot. Bonds2

About (2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid

(2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 1442063) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is (2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid
PubChem CID1442063
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name(2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ncccn1
InChIInChI=1S/C9H11N3O2/c13-8(14)7-3-1-6-12(7)9-10-4-2-5-11-9/h2,4-5,7H,1,3,6H2,(H,13,14)/t7-/m0/s1
InChIKeyUKGYNTRXPAKSOG-ZETCQYMHSA-N
XLogP0.53
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 656362
1-(Pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 4736951
L-Proline, 4-(4-(2-pyrimidinyl)-1-piperazinyl)-, (4S)-
CID 118753184
1-(Pyrimidin-2-yl)piperidine-2-carboxylic acid
CID 16769819
4-Hydroxy-1-(pyrimidin-4-yl)pyrrolidine-2-carboxylic acid hydrochloride
CID 137832710
1-(Pyrimidin-4-yl)pyrrolidine-2-carboxylic acid hydrochloride
CID 155971005
Pyrimidinylornithine
CID 53965494
1-(Pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61253166
Dimeth-ylpyrimidylornithine
CID 129022004
1-[(2-ethylpyrimidin-5-yl)methyl]-2-methyl-L-proline
CID 91832281
(2S)-1-[2-[(Z)-1-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 68334592
Methyl 1-(2-fluoropyrimidin-4-yl)-5-oxopyrrolidine-2-carboxylate
CID 90464886

Frequently Asked Questions

What is the IUPAC name of (2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid (CID 1442063) is (2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1c1ncccn1.
What is the InChIKey of (2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is UKGYNTRXPAKSOG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8(14)7-3-1-6-12(7)9-10-4-2-5-11-9/h2,4-5,7H,1,3,6H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid?
(2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 1442063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).