1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid

C12H22N2O3 — CID 104829352

IUPAC1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC(C(=O)O)C1)C(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-8(12(2,3)4)13-11(17)14-6-5-9(7-14)10(15)16/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyDZPWYXQNUKLAOF-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.54
Rot. Bonds2

About 1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid

1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 104829352) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID104829352
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC(C(=O)O)C1)C(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-8(12(2,3)4)13-11(17)14-6-5-9(7-14)10(15)16/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyDZPWYXQNUKLAOF-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032946
1-[1-(oxan-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114115277
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
1-[[2-methyl-1-(2-methylphenyl)propyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122001887
(3S)-1-N-[(2R)-3-methyl-3-phenylbutan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 95310200
1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032091
1-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011943
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
1-[[(1S)-1-(2-chlorophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015572
2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
CID 104829196
1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 66196818
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 104829352) is 1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid is CC(NC(=O)N1CCC(C(=O)O)C1)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is DZPWYXQNUKLAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(12(2,3)4)13-11(17)14-6-5-9(7-14)10(15)16/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 104829352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).