(3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid

C12H17N3O2 — CID 177130219

IUPAC(3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)c1cnc(N2CC[C@@H](C(=O)O)C2)nc1
InChIInChI=1S/C12H17N3O2/c1-8(2)10-5-13-12(14-6-10)15-4-3-9(7-15)11(16)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyMJUQPBBDLHTNAG-SECBINFHSA-N
MW235.29 g/mol
LogP1.51
Rot. Bonds3

About (3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid

(3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 177130219) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID177130219
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)c1cnc(N2CC[C@@H](C(=O)O)C2)nc1
InChIInChI=1S/C12H17N3O2/c1-8(2)10-5-13-12(14-6-10)15-4-3-9(7-15)11(16)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyMJUQPBBDLHTNAG-SECBINFHSA-N
XLogP1.51
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Pyrimidin-5-yl)acetic acid
CID 21471675
2-Methyl-2-(pyrimidin-5-yl)propanoic acid
CID 21471617
2-(2-Chloropyrimidin-5-yl)acetic acid
CID 55267811
2-(2-Methoxypyrimidin-5-yl)acetic acid
CID 55268291
2-(Pyrimidin-5-yl)acetic acid hydrochloride
CID 67009943
(3S,4S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72910725
(3S,4S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 86283799
2-(Pyrimidin-5-yl)propanoic acid
CID 62490683
4-(Methoxymethyl)-1-(pyrimidin-2-YL)pyrrolidine-3-carboxylic acid
CID 110203474
2-(Pyrimidin-5-yl)propanoic acid hydrochloride
CID 86775535
1-((4-Amino-2-methylpyrimidin-5-yl)methyl)pyrrolidine-3-carboxylic acid
CID 166434688
3-Amino-1-{[2-(ethylamino)pyrimidin-5-YL]methyl}pyrrolidine-3-carboxylic acid
CID 56707605

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid (CID 177130219) is (3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid is CC(C)c1cnc(N2CC[C@@H](C(=O)O)C2)nc1.
What is the InChIKey of (3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is MJUQPBBDLHTNAG-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)10-5-13-12(14-6-10)15-4-3-9(7-15)11(16)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
(3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 177130219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).