2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid

C9H17NO2 — CID 91351477

IUPAC2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid
SMILESCC1CCC[13CH](C)N1CC(=O)O
InChIInChI=1S/C9H17NO2/c1-7-4-3-5-8(2)10(7)6-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)/i7+1
InChIKeyYLBXXWPPZXGSJT-CDYZYAPPSA-N
MW172.23 g/mol
LogP1.33
Rot. Bonds2

About 2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid

2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid (PubChem CID 91351477) has the molecular formula C9H17NO2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid
PubChem CID91351477
Molecular FormulaC9H17NO2
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid
SMILESCC1CCC[13CH](C)N1CC(=O)O
InChIInChI=1S/C9H17NO2/c1-7-4-3-5-8(2)10(7)6-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)/i7+1
InChIKeyYLBXXWPPZXGSJT-CDYZYAPPSA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]acetic acid
CID 6994012
2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetic acid
CID 59404491
2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
CID 59404509
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbut-2-enoic acid
CID 104967856
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 104968240
ethyl 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]prop-2-enoate
CID 104967846
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
CID 92917685
N-benzhydryl-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 117068368
2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
CID 104968699
3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid
CID 83024199
2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid
CID 166175457

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid?
The IUPAC name of 2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid (CID 91351477) is 2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid.
What is the SMILES notation for 2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid?
The canonical SMILES for 2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid is CC1CCC[13CH](C)N1CC(=O)O.
What is the InChIKey of 2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid?
The InChIKey is YLBXXWPPZXGSJT-CDYZYAPPSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-4-3-5-8(2)10(7)6-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)/i7+1.
What are the key properties of 2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid?
2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid has a molecular weight of 172.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid is sourced from PubChem (CID 91351477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).