2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid

C14H26N2O2 — CID 104968620

IUPAC2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C14H26N2O2/c1-10-5-4-6-11(2)16(10)9-14(3,13(17)18)15-12-7-8-12/h10-12,15H,4-9H2,1-3H3,(H,17,18)/t10-,11+,14?
InChIKeyODNRNQVTWXGGAM-BVUQATHDSA-N
MW254.37 g/mol
LogP1.84
Rot. Bonds5

About 2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid

2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid (PubChem CID 104968620) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid
PubChem CID104968620
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C14H26N2O2/c1-10-5-4-6-11(2)16(10)9-14(3,13(17)18)15-12-7-8-12/h10-12,15H,4-9H2,1-3H3,(H,17,18)/t10-,11+,14?
InChIKeyODNRNQVTWXGGAM-BVUQATHDSA-N
XLogP1.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-propylpiperazine-2-carboxylic acid
CID 123581246
2-(Cyclopropylamino)-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 62968261
2-(Cyclopropylamino)-2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid
CID 65531401
2-(Cyclopropylamino)-2-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid
CID 65532763
1-(6,6,6-Trifluorohexan-2-yl)piperazine-2-carboxylic acid
CID 116535669
1-Tert-butylpiperazine-2-carboxylic acid
CID 21864886
4-Propylpiperazine-2-carboxylic acid
CID 54148718
4-Isopropylpiperazine-2-carboxylic acid
CID 54304982
(2S)-2-(piperidin-3-ylamino)propanoic acid
CID 54477130
1-Propylpiperazine-2-carboxylic acid
CID 58977643
1-Isopropylpiperazine-2-carboxylic acid
CID 60006811
2-(Piperidin-3-ylamino)propanoic acid
CID 61638864

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid (CID 104968620) is 2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid is C[C@@H]1CCC[C@H](C)N1CC(C)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid?
The InChIKey is ODNRNQVTWXGGAM-BVUQATHDSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-5-4-6-11(2)16(10)9-14(3,13(17)18)15-12-7-8-12/h10-12,15H,4-9H2,1-3H3,(H,17,18)/t10-,11+,14?.
What are the key properties of 2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid?
2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 104968620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).