(2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid

C15H27NO2 — CID 122124967

IUPAC(2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
SMILESCC1CCCCC1CN1CCC[C@H](C(=O)O)[C@@H]1C
InChIInChI=1S/C15H27NO2/c1-11-6-3-4-7-13(11)10-16-9-5-8-14(12(16)2)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)/t11?,12-,13?,14-/m0/s1
InChIKeyHHVGZGFFJHHJGU-YIOUJQMASA-N
MW253.39 g/mol
LogP3.00
Rot. Bonds3

About (2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid

(2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid (PubChem CID 122124967) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
PubChem CID122124967
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
SMILESCC1CCCCC1CN1CCC[C@H](C(=O)O)[C@@H]1C
InChIInChI=1S/C15H27NO2/c1-11-6-3-4-7-13(11)10-16-9-5-8-14(12(16)2)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)/t11?,12-,13?,14-/m0/s1
InChIKeyHHVGZGFFJHHJGU-YIOUJQMASA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid
CID 131173226
6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122084191
3-methyl-1-[(2-methylcyclohexyl)methyl]piperidin-2-amine
CID 163122949
1-[(2-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 55013515
(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969
1-carbamoyl-2-methylpiperidine-3-carboxylic acid
CID 130961604
(2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 122124688
2-methylcyclohexane-1-carboxylic acid;dihydrochloride
CID 90238967
2-methylcyclooctane-1-carboxylic acid
CID 21039885
2-[(1R,2S)-2-methylcyclohexyl]acetic acid
CID 41097348
cis-(1S,2S)-2-(fluoromethyl)cyclohexane-1-carboxylic acid
CID 96581669
(2R,3R)-1-[(4-cyclopropylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122125097

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid (CID 122124967) is (2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid is CC1CCCCC1CN1CCC[C@H](C(=O)O)[C@@H]1C.
What is the InChIKey of (2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is HHVGZGFFJHHJGU-YIOUJQMASA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-6-3-4-7-13(11)10-16-9-5-8-14(12(16)2)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)/t11?,12-,13?,14-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid?
(2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122124967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).