(2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid

C8H16N2O2 — CID 178194781

IUPAC(2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid
SMILESCN(C)[C@H]1CCN[C@@H](C(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-10(2)6-3-4-9-7(5-6)8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m0/s1
InChIKeyHSSXUIKVQBZBCN-NKWVEPMBSA-N
MW172.23 g/mol
LogP-0.25
Rot. Bonds2

About (2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid

(2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid (PubChem CID 178194781) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid
PubChem CID178194781
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid
SMILESCN(C)[C@H]1CCN[C@@H](C(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-10(2)6-3-4-9-7(5-6)8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m0/s1
InChIKeyHSSXUIKVQBZBCN-NKWVEPMBSA-N
XLogP-0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
(2R)-N,N-dimethylazetidine-2-carboxamide
CID 124537269
(2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid
CID 139957952
(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 135373119
(2S,4R)-4-(sulfanylmethyl)piperidine-2-carboxylic acid
CID 137455013
4-(2-cyclopropylethyl)piperidine-2-carboxylic acid
CID 18446255
(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid
CID 70834767
2-ethyl-N,N-dimethylpiperidin-4-amine
CID 126971531
N-cyclobutyl-N-methylazetidine-2-carboxamide
CID 130908967
N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide
CID 119889097
4-(3-methylbutyl)piperidine-2-carboxylic acid
CID 82397672

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid (CID 178194781) is (2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid is CN(C)[C@H]1CCN[C@@H](C(=O)O)C1.
What is the InChIKey of (2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid?
The InChIKey is HSSXUIKVQBZBCN-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(2)6-3-4-9-7(5-6)8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m0/s1.
What are the key properties of (2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid?
(2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid is sourced from PubChem (CID 178194781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).