2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 107068302

IUPAC2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC1CCCNC1C(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C14H24N2O3/c1-9-4-3-7-15-12(9)13(17)16-8-10-5-2-6-11(10)14(18)19/h9-12,15H,2-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyNLNBBZYVNOAHPZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.99
Rot. Bonds4

About 2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 107068302) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID107068302
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC1CCCNC1C(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C14H24N2O3/c1-9-4-3-7-15-12(9)13(17)16-8-10-5-2-6-11(10)14(18)19/h9-12,15H,2-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyNLNBBZYVNOAHPZ-UHFFFAOYSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104901218
N-(2-amino-2-oxoethyl)-3-methylpiperidine-2-carboxamide
CID 62338928
N-[(2S)-2-hydroxypropyl]-3-methylpiperidine-2-carboxamide
CID 107221242
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
N-(cyclobutylmethyl)-3-methylpyrrolidine-2-carboxamide
CID 102777267
ethane;ethylboronic acid;2-[(pyrrolidine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 164549584
N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide
CID 64599745
N-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxamide
CID 62338768
3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide
CID 79551044
N-(2,3-dihydroxypropyl)-3-methylpiperidine-2-carboxamide
CID 107068312
2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 114429200
2-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107000450

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 107068302) is 2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is CC1CCCNC1C(=O)NCC1CCCC1C(=O)O.
What is the InChIKey of 2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is NLNBBZYVNOAHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-4-3-7-15-12(9)13(17)16-8-10-5-2-6-11(10)14(18)19/h9-12,15H,2-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107068302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).