(2S)-3,3-dimethylpiperidine-2-carboxylic acid

C8H15NO2 — CID 93492996

IUPAC(2S)-3,3-dimethylpiperidine-2-carboxylic acid
SMILESCC1(C)CCCN[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO2/c1-8(2)4-3-5-9-6(8)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyBNWYNDSKZRWDFN-ZCFIWIBFSA-N
MW157.21 g/mol
LogP0.85
Rot. Bonds1

About (2S)-3,3-dimethylpiperidine-2-carboxylic acid

(2S)-3,3-dimethylpiperidine-2-carboxylic acid (PubChem CID 93492996) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S)-3,3-dimethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-3,3-dimethylpiperidine-2-carboxylic acid
PubChem CID93492996
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S)-3,3-dimethylpiperidine-2-carboxylic acid
SMILESCC1(C)CCCN[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO2/c1-8(2)4-3-5-9-6(8)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyBNWYNDSKZRWDFN-ZCFIWIBFSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide
CID 139998983
(4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 114084097
2-(3,3-dimethylpiperidin-2-yl)acetic acid
CID 10631009
N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114084152
3,3-dimethyl-N-(2-methylcyclohexyl)piperidine-2-carboxamide
CID 114083995
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide
CID 114084217
N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide
CID 114119268
N-(3-cyclopropylpropyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114084316
N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114162096
(3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 114084054
(3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 114084354
(3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 114084147

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethylpiperidine-2-carboxylic acid?
The IUPAC name of (2S)-3,3-dimethylpiperidine-2-carboxylic acid (CID 93492996) is (2S)-3,3-dimethylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-3,3-dimethylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S)-3,3-dimethylpiperidine-2-carboxylic acid is CC1(C)CCCN[C@@H]1C(=O)O.
What is the InChIKey of (2S)-3,3-dimethylpiperidine-2-carboxylic acid?
The InChIKey is BNWYNDSKZRWDFN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2)4-3-5-9-6(8)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (2S)-3,3-dimethylpiperidine-2-carboxylic acid?
(2S)-3,3-dimethylpiperidine-2-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 93492996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).