2-(dimethylamino)-4-methoxy-4-methylpentanoic acid

C9H19NO3 — CID 106676156

IUPAC2-(dimethylamino)-4-methoxy-4-methylpentanoic acid
SMILESCOC(C)(C)CC(C(=O)O)N(C)C
InChIInChI=1S/C9H19NO3/c1-9(2,13-5)6-7(8(11)12)10(3)4/h7H,6H2,1-5H3,(H,11,12)
InChIKeySWQSCSVAFPRMDC-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.82
Rot. Bonds5

About 2-(dimethylamino)-4-methoxy-4-methylpentanoic acid

2-(dimethylamino)-4-methoxy-4-methylpentanoic acid (PubChem CID 106676156) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methoxy-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-4-methoxy-4-methylpentanoic acid
PubChem CID106676156
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-(dimethylamino)-4-methoxy-4-methylpentanoic acid
SMILESCOC(C)(C)CC(C(=O)O)N(C)C
InChIInChI=1S/C9H19NO3/c1-9(2,13-5)6-7(8(11)12)10(3)4/h7H,6H2,1-5H3,(H,11,12)
InChIKeySWQSCSVAFPRMDC-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid;dihydrochloride
CID 88518958
2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
CID 65061573
2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride
CID 87309303
2-[(2-methoxy-2-methylpropyl)sulfonyl-methylamino]propanoic acid
CID 122068997
2-(dimethylamino)hexadecanoic acid;methoxymethane
CID 175149537
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753
3-(diethylamino)-5-methoxy-5-methylhexanoic acid
CID 106676479
4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid
CID 106676158
2-(dimethylamino)-3-methylsulfanylpropanoic acid;methanol;methyl 2-(dimethylamino)-3-methylsulfanylpropanoate
CID 160501540
(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-sulfanylpropanoic acid
CID 22879372
methyl 4-methoxy-2,4-dimethylpentanoate
CID 22982800
2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-methoxy-4-methylpentanoic acid
CID 106676038

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methoxy-4-methylpentanoic acid?
The IUPAC name of 2-(dimethylamino)-4-methoxy-4-methylpentanoic acid (CID 106676156) is 2-(dimethylamino)-4-methoxy-4-methylpentanoic acid.
What is the SMILES notation for 2-(dimethylamino)-4-methoxy-4-methylpentanoic acid?
The canonical SMILES for 2-(dimethylamino)-4-methoxy-4-methylpentanoic acid is COC(C)(C)CC(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-4-methoxy-4-methylpentanoic acid?
The InChIKey is SWQSCSVAFPRMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,13-5)6-7(8(11)12)10(3)4/h7H,6H2,1-5H3,(H,11,12).
What are the key properties of 2-(dimethylamino)-4-methoxy-4-methylpentanoic acid?
2-(dimethylamino)-4-methoxy-4-methylpentanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methoxy-4-methylpentanoic acid is sourced from PubChem (CID 106676156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).