(3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid

C13H25N3O3 — CID 81126024

IUPAC(3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCN(C)C(C)(C)CNC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-13(2,15(3)4)9-14-12(19)16-7-5-6-10(8-16)11(17)18/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)/t10-/m0/s1
InChIKeyBNIHVXJTOHBGJI-JTQLQIEISA-N
MW271.36 g/mol
LogP0.83
Rot. Bonds4

About (3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81126024) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID81126024
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCN(C)C(C)(C)CNC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-13(2,15(3)4)9-14-12(19)16-7-5-6-10(8-16)11(17)18/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)/t10-/m0/s1
InChIKeyBNIHVXJTOHBGJI-JTQLQIEISA-N
XLogP0.83
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031585
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid
CID 62677015
1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 122016418
(3S)-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 104864513
(3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 104985172
1-[(2-methoxy-2-methylbutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122016303
1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000719
(3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid
CID 83020621
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid (CID 81126024) is (3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid is CN(C)C(C)(C)CNC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BNIHVXJTOHBGJI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(2,15(3)4)9-14-12(19)16-7-5-6-10(8-16)11(17)18/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)/t10-/m0/s1.
What are the key properties of (3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81126024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).