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

C9H19NO3 — CID 64709074

IUPAC2-(ethylamino)-4-methoxy-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)OC)C(=O)O
InChIInChI=1S/C9H19NO3/c1-5-10-9(3,8(11)12)6-7(2)13-4/h7,10H,5-6H2,1-4H3,(H,11,12)
InChIKeyHNVNVMYOXIQIDN-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.86
Rot. Bonds6

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

2-(ethylamino)-4-methoxy-2-methylpentanoic acid (PubChem CID 64709074) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-(ethylamino)-4-methoxy-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-methoxy-2-methylpentanoic acid
PubChem CID64709074
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-(ethylamino)-4-methoxy-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)OC)C(=O)O
InChIInChI=1S/C9H19NO3/c1-5-10-9(3,8(11)12)6-7(2)13-4/h7,10H,5-6H2,1-4H3,(H,11,12)
InChIKeyHNVNVMYOXIQIDN-UHFFFAOYSA-N
XLogP0.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxy-2-(ethylamino)-2-methylpentanoic acid
CID 64706482
2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 112589153
2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82958128
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentanoic acid
CID 64727236
2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid
CID 64707386
methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate
CID 64706852
3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid
CID 103489783
2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid
CID 64708806
2-(ethylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-methylpropanoic acid
CID 107771793
2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid
CID 107755938
methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate
CID 114208556
2-(ethylamino)-4-(2-methoxyphenyl)sulfanyl-2-methylpentanoic acid
CID 64704900

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methoxy-2-methylpentanoic acid?
The IUPAC name of 2-(ethylamino)-4-methoxy-2-methylpentanoic acid (CID 64709074) is 2-(ethylamino)-4-methoxy-2-methylpentanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-methoxy-2-methylpentanoic acid?
The canonical SMILES for 2-(ethylamino)-4-methoxy-2-methylpentanoic acid is CCNC(C)(CC(C)OC)C(=O)O.
What is the InChIKey of 2-(ethylamino)-4-methoxy-2-methylpentanoic acid?
The InChIKey is HNVNVMYOXIQIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-10-9(3,8(11)12)6-7(2)13-4/h7,10H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-(ethylamino)-4-methoxy-2-methylpentanoic acid?
2-(ethylamino)-4-methoxy-2-methylpentanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methoxy-2-methylpentanoic acid is sourced from PubChem (CID 64709074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).