5-amino-4,4-dimethylpiperidine-2-carboxylic acid

C8H16N2O2 — CID 58725270

IUPAC5-amino-4,4-dimethylpiperidine-2-carboxylic acid
SMILESCC1(C)CC(C(=O)O)NCC1N
InChIInChI=1S/C8H16N2O2/c1-8(2)3-5(7(11)12)10-4-6(8)9/h5-6,10H,3-4,9H2,1-2H3,(H,11,12)
InChIKeyFHIAAAHAJHZZHF-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.21
Rot. Bonds1

About 5-amino-4,4-dimethylpiperidine-2-carboxylic acid

5-amino-4,4-dimethylpiperidine-2-carboxylic acid (PubChem CID 58725270) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 5-amino-4,4-dimethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-4,4-dimethylpiperidine-2-carboxylic acid
PubChem CID58725270
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name5-amino-4,4-dimethylpiperidine-2-carboxylic acid
SMILESCC1(C)CC(C(=O)O)NCC1N
InChIInChI=1S/C8H16N2O2/c1-8(2)3-5(7(11)12)10-4-6(8)9/h5-6,10H,3-4,9H2,1-2H3,(H,11,12)
InChIKeyFHIAAAHAJHZZHF-UHFFFAOYSA-N
XLogP-0.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-methylpyrrolidine-2,4-dicarboxylic acid
CID 131853528
(2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 54006314
(2S)-4-aminopyrrolidine-2-carboxylic acid
CID 21120376
(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid
CID 154707113
(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 170166786
2,6-diazaspiro[3.4]octane-7-carboxylic acid
CID 165458055
(2S)-6-aminoazepane-2-carboxylic acid
CID 91348776
(2S)-4,4-dibromopyrrolidine-2-carboxylic acid
CID 118556708
4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 71952985
(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride
CID 162760358
trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid
CID 66932920
(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid
CID 54517485

Frequently Asked Questions

What is the IUPAC name of 5-amino-4,4-dimethylpiperidine-2-carboxylic acid?
The IUPAC name of 5-amino-4,4-dimethylpiperidine-2-carboxylic acid (CID 58725270) is 5-amino-4,4-dimethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 5-amino-4,4-dimethylpiperidine-2-carboxylic acid?
The canonical SMILES for 5-amino-4,4-dimethylpiperidine-2-carboxylic acid is CC1(C)CC(C(=O)O)NCC1N.
What is the InChIKey of 5-amino-4,4-dimethylpiperidine-2-carboxylic acid?
The InChIKey is FHIAAAHAJHZZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2)3-5(7(11)12)10-4-6(8)9/h5-6,10H,3-4,9H2,1-2H3,(H,11,12).
What are the key properties of 5-amino-4,4-dimethylpiperidine-2-carboxylic acid?
5-amino-4,4-dimethylpiperidine-2-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of -0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,4-dimethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 58725270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).