2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid

C11H21NO4 — CID 114991128

IUPAC2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NCCC(=O)OCC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-7-11(3,10(14)15)12-8-6-9(13)16-5-2/h12H,4-8H2,1-3H3,(H,14,15)
InChIKeyCYWSXVJSRLBIDS-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.17
Rot. Bonds8

About 2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid

2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid (PubChem CID 114991128) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid
PubChem CID114991128
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NCCC(=O)OCC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-7-11(3,10(14)15)12-8-6-9(13)16-5-2/h12H,4-8H2,1-3H3,(H,14,15)
InChIKeyCYWSXVJSRLBIDS-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid
CID 79355808
ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate
CID 61218283
ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647
2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid
CID 63227923
2-methyl-2-(3-methylbutylamino)pentanoic acid
CID 43619536
2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid
CID 43808028
ethyl 4-(ethylamino)-4-methylpentanoate
CID 89155983
ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate
CID 177138587
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
ethyl 3-[2-(tert-butylamino)ethylamino]propanoate
CID 107445555
2-methyl-2-(2-methylpropylamino)pentanoic acid
CID 43619509
ethyl 5-methyl-5-propyloctanoate
CID 134441351

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid (CID 114991128) is 2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid is CCCC(C)(NCCC(=O)OCC)C(=O)O.
What is the InChIKey of 2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid?
The InChIKey is CYWSXVJSRLBIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-7-11(3,10(14)15)12-8-6-9(13)16-5-2/h12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid?
2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 114991128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).