1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid

C14H24N2O3 — CID 102780337

IUPAC1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCCCCC2N)C1C(=O)O
InChIInChI=1S/C14H24N2O3/c1-9-7-8-16(12(9)14(18)19)13(17)10-5-3-2-4-6-11(10)15/h9-12H,2-8,15H2,1H3,(H,18,19)
InChIKeyUZSQURQQLFKJAT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.22
Rot. Bonds2

About 1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid

1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102780337) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102780337
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCCCCC2N)C1C(=O)O
InChIInChI=1S/C14H24N2O3/c1-9-7-8-16(12(9)14(18)19)13(17)10-5-3-2-4-6-11(10)15/h9-12H,2-8,15H2,1H3,(H,18,19)
InChIKeyUZSQURQQLFKJAT-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 102775893
1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid
CID 115867406
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978
(2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780572
(2-aminocyclohexyl)-(2-methylpiperidin-1-yl)methanone
CID 62775944
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775119
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 107175956
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780280

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102780337) is 1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(=O)C2CCCCCC2N)C1C(=O)O.
What is the InChIKey of 1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is UZSQURQQLFKJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-7-8-16(12(9)14(18)19)13(17)10-5-3-2-4-6-11(10)15/h9-12H,2-8,15H2,1H3,(H,18,19).
What are the key properties of 1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102780337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).