2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid

C11H22N2O2 — CID 104968699

IUPAC2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1CCC(N)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-8-4-3-5-9(2)13(8)7-6-10(12)11(14)15/h8-10H,3-7,12H2,1-2H3,(H,14,15)/t8-,9+,10?
InChIKeyRHTXWSJDUXBUAW-ULKQDVFKSA-N
MW214.31 g/mol
LogP1.05
Rot. Bonds4

About 2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid

2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid (PubChem CID 104968699) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
PubChem CID104968699
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1CCC(N)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-8-4-3-5-9(2)13(8)7-6-10(12)11(14)15/h8-10H,3-7,12H2,1-2H3,(H,14,15)/t8-,9+,10?
InChIKeyRHTXWSJDUXBUAW-ULKQDVFKSA-N
XLogP1.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
CID 83221433
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
CID 92917685
(2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 139553940
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide
CID 104968607
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
(2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one
CID 103796395
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-aminobutanoic acid
CID 82750702
2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]acetic acid
CID 6994012
2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid
CID 91351477
2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 63028622
ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate
CID 83221351
4-(2,6-dimethylpiperidin-1-yl)butan-1-ol
CID 19867661

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid?
The IUPAC name of 2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid (CID 104968699) is 2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid.
What is the SMILES notation for 2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid?
The canonical SMILES for 2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid is C[C@@H]1CCC[C@H](C)N1CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid?
The InChIKey is RHTXWSJDUXBUAW-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-4-3-5-9(2)13(8)7-6-10(12)11(14)15/h8-10H,3-7,12H2,1-2H3,(H,14,15)/t8-,9+,10?.
What are the key properties of 2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid?
2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid has a molecular weight of 214.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid is sourced from PubChem (CID 104968699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).