(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid

C11H20N2O3 — CID 104968084

IUPAC(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7-5-4-6-8(2)13(7)11(16)12-9(3)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7-,8+,9-/m0/s1
InChIKeyWXKUWMLYJLQYAC-YIZRAAEISA-N
MW228.29 g/mol
LogP1.43
Rot. Bonds2

About (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid

(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid (PubChem CID 104968084) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid
PubChem CID104968084
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7-5-4-6-8(2)13(7)11(16)12-9(3)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7-,8+,9-/m0/s1
InChIKeyWXKUWMLYJLQYAC-YIZRAAEISA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 61190709
(2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104935278
(2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61207464
2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83218784
(2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid
CID 107567758
2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid
CID 15199488
(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 104935529
(2S)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61191560
(2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 104937472
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
CID 104968030
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 78986525

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid (CID 104968084) is (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid is C[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)O.
What is the InChIKey of (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is WXKUWMLYJLQYAC-YIZRAAEISA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-5-4-6-8(2)13(7)11(16)12-9(3)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7-,8+,9-/m0/s1.
What are the key properties of (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid?
(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 104968084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).