1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid

C15H26N2O3 — CID 107068866

IUPAC1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)CC2(N)CCCCC2)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-11-6-5-9-17(13(11)14(19)20)12(18)10-15(16)7-3-2-4-8-15/h11,13H,2-10,16H2,1H3,(H,19,20)
InChIKeyIQILKTMGAALNCB-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.75
Rot. Bonds3

About 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid

1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107068866) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107068866
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)CC2(N)CCCCC2)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-11-6-5-9-17(13(11)14(19)20)12(18)10-15(16)7-3-2-4-8-15/h11,13H,2-10,16H2,1H3,(H,19,20)
InChIKeyIQILKTMGAALNCB-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid
CID 64677043
2-(1-aminocyclopentyl)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 64678965
2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone
CID 79854226
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone
CID 64676833
1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069454
2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone
CID 104689647
3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
CID 107068836
(2R)-1-[2-(1-aminocyclobutyl)acetyl]piperidine-2-carboxylic acid
CID 79854851
1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107068723
1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071894
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid (CID 107068866) is 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)CC2(N)CCCCC2)C1C(=O)O.
What is the InChIKey of 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is IQILKTMGAALNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-6-5-9-17(13(11)14(19)20)12(18)10-15(16)7-3-2-4-8-15/h11,13H,2-10,16H2,1H3,(H,19,20).
What are the key properties of 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid?
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107068866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).