(2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid

C11H18N4O2 — CID 125451972

IUPAC(2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid
SMILESCNC[C@@H]1CC[C@H](C(=O)O)N1c1cnn(C)c1
InChIInChI=1S/C11H18N4O2/c1-12-5-8-3-4-10(11(16)17)15(8)9-6-13-14(2)7-9/h6-8,10,12H,3-5H2,1-2H3,(H,16,17)/t8-,10+/m0/s1
InChIKeyGOPBZAJXFFVYHC-WCBMZHEXSA-N
MW238.29 g/mol
LogP0.06
Rot. Bonds4

About (2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid

(2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 125451972) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID125451972
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid
SMILESCNC[C@@H]1CC[C@H](C(=O)O)N1c1cnn(C)c1
InChIInChI=1S/C11H18N4O2/c1-12-5-8-3-4-10(11(16)17)15(8)9-6-13-14(2)7-9/h6-8,10,12H,3-5H2,1-2H3,(H,16,17)/t8-,10+/m0/s1
InChIKeyGOPBZAJXFFVYHC-WCBMZHEXSA-N
XLogP0.06
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(1-methyl-1H-pyrazol-4-yl)-3-oxa-8-azabicyclo(3.2.1)octane-2,4-dione
CID 131631781
2-(4-Aminopyrazol-1-yl)hexanoic acid
CID 117974497
6-Amino-2-[[1-(phosphonooxymethyl)pyrazol-4-yl]amino]hexanoic acid
CID 122638528
(2S)-6-amino-2-[[1-(phosphonooxymethyl)pyrazol-4-yl]amino]hexanoic acid
CID 122638531
4-[4-(Methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 135294649
(2R)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 155225061
(2S)-2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 155225175
methyl (3S,6R)-1-[1-[2-hydroxy-3-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-2-methylpropyl]pyrazol-4-yl]-6-methylpiperidine-3-carboxylate
CID 156262638
2-[(1-Methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 175825415
1-(1-Methylpyrazol-4-yl)-5-oxopyrrolidine-2-carboxylic acid
CID 177305519
Methyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 43473877
5-[[1-[2-(Methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid
CID 54866869

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid (CID 125451972) is (2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid is CNC[C@@H]1CC[C@H](C(=O)O)N1c1cnn(C)c1.
What is the InChIKey of (2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is GOPBZAJXFFVYHC-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-12-5-8-3-4-10(11(16)17)15(8)9-6-13-14(2)7-9/h6-8,10,12H,3-5H2,1-2H3,(H,16,17)/t8-,10+/m0/s1.
What are the key properties of (2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid?
(2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 125451972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).