1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid

C15H26N2O3 — CID 115444100

IUPAC1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2(CN)CCCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-14(13(19)20)8-9-17(11-14)12(18)15(10-16)6-4-2-3-5-7-15/h2-11,16H2,1H3,(H,19,20)
InChIKeySAUQNLNXMDDDET-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.61
Rot. Bonds3

About 1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid

1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 115444100) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID115444100
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2(CN)CCCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-14(13(19)20)8-9-17(11-14)12(18)15(10-16)6-4-2-3-5-7-15/h2-11,16H2,1H3,(H,19,20)
InChIKeySAUQNLNXMDDDET-UHFFFAOYSA-N
XLogP1.61
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclohexanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318011
[1-(aminomethyl)cyclopentyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355739
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
1-(4-aminobutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144724
[1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404093
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-(6-aminohexanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55165176
(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone
CID 80587175
[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone
CID 63609214
1-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257303
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120932230

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 115444100) is 1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)C2(CN)CCCCCC2)C1.
What is the InChIKey of 1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is SAUQNLNXMDDDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(13(19)20)8-9-17(11-14)12(18)15(10-16)6-4-2-3-5-7-15/h2-11,16H2,1H3,(H,19,20).
What are the key properties of 1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cycloheptanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115444100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).