ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid

C11H25NO2 — CID 143677823

IUPACethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid
SMILESCC.CCC(C)C(C(=O)O)N(C)CC
InChIInChI=1S/C9H19NO2.C2H6/c1-5-7(3)8(9(11)12)10(4)6-2;1-2/h7-8H,5-6H2,1-4H3,(H,11,12);1-2H3
InChIKeySVLMYFWNMPMVFY-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.46
Rot. Bonds5

About ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid

ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid (PubChem CID 143677823) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Nameethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid
PubChem CID143677823
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Nameethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid
SMILESCC.CCC(C)C(C(=O)O)N(C)CC
InChIInChI=1S/C9H19NO2.C2H6/c1-5-7(3)8(9(11)12)10(4)6-2;1-2/h7-8H,5-6H2,1-4H3,(H,11,12);1-2H3
InChIKeySVLMYFWNMPMVFY-UHFFFAOYSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-carboxyethyl(ethyl)amino]-3-methylpentanoic acid
CID 82328693
(2S,3S)-2-[(3-amino-3-oxopropanoyl)-methylamino]-3-methylpentanoic acid
CID 154682418
(2S,3S)-3-methyl-2-[methyl-[3-(methylamino)-3-oxopropanoyl]amino]pentanoic acid
CID 154682430
(2S,3S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylpentanoic acid
CID 22806266
2-[amino(pentyl)amino]-3-methylpentanoic acid
CID 174299571
N-ethyl-N,3-dimethylpentan-2-amine
CID 89053898
2-[(2R)-butan-2-yl]propanedioic acid
CID 51381327
ethane;3-[ethyl(methyl)amino]butan-2-one
CID 177194341
methyl 2-[benzyl(methyl)amino]-3-methylpentanoate
CID 146455513
N,N-dimethylethanamine;2-hydroxypropanoic acid
CID 174810971
(4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one
CID 153494768
2-(dimethylamino)-3-methyl-5-oxopentanoic acid
CID 175114199

Frequently Asked Questions

What is the IUPAC name of ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid?
The IUPAC name of ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid (CID 143677823) is ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid?
The canonical SMILES for ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid is CC.CCC(C)C(C(=O)O)N(C)CC.
What is the InChIKey of ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid?
The InChIKey is SVLMYFWNMPMVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C2H6/c1-5-7(3)8(9(11)12)10(4)6-2;1-2/h7-8H,5-6H2,1-4H3,(H,11,12);1-2H3.
What are the key properties of ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid?
ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid has a molecular weight of 203.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[ethyl(methyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 143677823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).