(2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C12H20N2O3 — CID 63218947

IUPAC(2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)CCCN1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-12(2)6-4-8-14(12)11(17)13-7-3-5-9(13)10(15)16/h9H,3-8H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyCSFIOMPFKYZYPO-VIFPVBQESA-N
MW240.30 g/mol
LogP1.53
Rot. Bonds1

About (2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 63218947) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID63218947
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)CCCN1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-12(2)6-4-8-14(12)11(17)13-7-3-5-9(13)10(15)16/h9H,3-8H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyCSFIOMPFKYZYPO-VIFPVBQESA-N
XLogP1.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 55149679
(2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714485
2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 63219243
1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63614728
(2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78946615
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783009
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 65319939
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
(2R)-1-(2,3-dimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922537
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
(2S)-1-(2,2-dimethylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107000362

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 63218947) is (2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC1(C)CCCN1C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CSFIOMPFKYZYPO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2)6-4-8-14(12)11(17)13-7-3-5-9(13)10(15)16/h9H,3-8H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63218947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).