1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid

C13H25N3O3 — CID 61181569

IUPAC1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)CC(C)(C)CNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H25N3O3/c1-13(2,9-15(3)4)8-14-12(19)16-7-5-6-10(16)11(17)18/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyLUJHPPRJRVKNAM-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.83
Rot. Bonds5

About 1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid

1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61181569) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61181569
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)CC(C)(C)CNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H25N3O3/c1-13(2,9-15(3)4)8-14-12(19)16-7-5-6-10(16)11(17)18/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyLUJHPPRJRVKNAM-UHFFFAOYSA-N
XLogP0.83
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923191
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 113364443
1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 63860599
(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922567
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 10861156
(2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55097694
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174648
1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192237
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
(2S)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78967793
(2R)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55149866

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 61181569) is 1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid is CN(C)CC(C)(C)CNC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LUJHPPRJRVKNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(2,9-15(3)4)8-14-12(19)16-7-5-6-10(16)11(17)18/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid?
1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61181569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).