3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid

C11H20N2O4 — CID 104968030

IUPAC3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7-4-3-5-8(2)13(7)11(17)12-6-9(14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)/t7-,8+,9?
InChIKeyQBFOWNPOKGOUMX-JVHMLUBASA-N
MW244.29 g/mol
LogP0.40
Rot. Bonds3

About 3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid

3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid (PubChem CID 104968030) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
PubChem CID104968030
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7-4-3-5-8(2)13(7)11(17)12-6-9(14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)/t7-,8+,9?
InChIKeyQBFOWNPOKGOUMX-JVHMLUBASA-N
XLogP0.40
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 114144778
2-hydroxy-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 114538651
(2S)-2-hydroxy-3-[(4-methylazepane-1-carbonyl)amino]propanoic acid
CID 107839970
(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid
CID 104968084
N-(methoxymethyl)-2,6-dimethylpiperidine-1-carboxamide
CID 110675943
(2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104935278
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 104968130
3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid
CID 66167867
methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate
CID 127581766
(2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide
CID 99858308
(2S)-3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 107838219
3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 66165088

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid (CID 104968030) is 3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid is C[C@@H]1CCC[C@H](C)N1C(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid?
The InChIKey is QBFOWNPOKGOUMX-JVHMLUBASA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7-4-3-5-8(2)13(7)11(17)12-6-9(14)10(15)16/h7-9,14H,3-6H2,1-2H3,(H,12,17)(H,15,16)/t7-,8+,9?.
What are the key properties of 3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid?
3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 104968030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).