(3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid

C9H17N3O3 — CID 83020621

IUPAC(3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid
SMILESCN(C)NC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C9H17N3O3/c1-11(2)10-9(15)12-5-3-4-7(6-12)8(13)14/h7H,3-6H2,1-2H3,(H,10,15)(H,13,14)/t7-/m1/s1
InChIKeyNHDJCYNZEBZNHE-SSDOTTSWSA-N
MW215.25 g/mol
LogP-0.03
Rot. Bonds2

About (3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid

(3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid (PubChem CID 83020621) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is (3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid
PubChem CID83020621
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name(3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid
SMILESCN(C)NC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C9H17N3O3/c1-11(2)10-9(15)12-5-3-4-7(6-12)8(13)14/h7H,3-6H2,1-2H3,(H,10,15)(H,13,14)/t7-/m1/s1
InChIKeyNHDJCYNZEBZNHE-SSDOTTSWSA-N
XLogP-0.03
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120309
(3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid
CID 83020304
(3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 81126024
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 43586350
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid (CID 83020621) is (3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid is CN(C)NC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is NHDJCYNZEBZNHE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-11(2)10-9(15)12-5-3-4-7(6-12)8(13)14/h7H,3-6H2,1-2H3,(H,10,15)(H,13,14)/t7-/m1/s1.
What are the key properties of (3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid?
(3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 83020621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).