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

C14H24N2O3 — CID 114424736

IUPAC1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCCC2CN)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9-5-6-16(12(7-9)14(18)19)13(17)11-4-2-3-10(11)8-15/h9-12H,2-8,15H2,1H3,(H,18,19)
InChIKeySEVVVRQSJDTNLA-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.07
Rot. Bonds3

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

1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114424736) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114424736
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CCCC2CN)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9-5-6-16(12(7-9)14(18)19)13(17)11-4-2-3-10(11)8-15/h9-12H,2-8,15H2,1H3,(H,18,19)
InChIKeySEVVVRQSJDTNLA-UHFFFAOYSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid
CID 115867406
1-[2-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372312
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
1-(2,2-dimethylbutanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421662
4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104921848
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 114424633
1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 106097897
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 104921851
1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114424749
(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358
[(1R,2S)-2-(aminomethyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 131010813
1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421123

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid (CID 114424736) is 1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)C2CCCC2CN)C(C(=O)O)C1.
What is the InChIKey of 1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is SEVVVRQSJDTNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-5-6-16(12(7-9)14(18)19)13(17)11-4-2-3-10(11)8-15/h9-12H,2-8,15H2,1H3,(H,18,19).
What are the key properties of 1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid?
1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclopentanecarbonyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114424736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).