1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid

C16H28N2O3 — CID 106743006

IUPAC1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)C1(CN)CCCCCC1
InChIInChI=1S/C16H28N2O3/c1-12-10-13(14(19)20)6-9-18(12)15(21)16(11-17)7-4-2-3-5-8-16/h12-13H,2-11,17H2,1H3,(H,19,20)
InChIKeyUGKRUSJBMKIKMK-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.00
Rot. Bonds3

About 1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid

1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106743006) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106743006
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)C1(CN)CCCCCC1
InChIInChI=1S/C16H28N2O3/c1-12-10-13(14(19)20)6-9-18(12)15(21)16(11-17)7-4-2-3-5-8-16/h12-13H,2-11,17H2,1H3,(H,19,20)
InChIKeyUGKRUSJBMKIKMK-UHFFFAOYSA-N
XLogP2.00
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone
CID 80599736
1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106742943
1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115448527
[1-(aminomethyl)cycloheptyl]-(3-methylthiomorpholin-4-yl)methanone
CID 113310838
(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115453494
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[1-(aminomethyl)cycloheptyl]methanone
CID 82747221
(2S,4S)-1-[1-(aminomethyl)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115437924
(2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115443975
[1-(aminomethyl)cyclopentyl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79938244
1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 115441831
methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate
CID 115437510

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid (CID 106743006) is 1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)C1(CN)CCCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is UGKRUSJBMKIKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12-10-13(14(19)20)6-9-18(12)15(21)16(11-17)7-4-2-3-5-8-16/h12-13H,2-11,17H2,1H3,(H,19,20).
What are the key properties of 1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid?
1-[1-(aminomethyl)cycloheptanecarbonyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.00, 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]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106743006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).