2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid

C11H21NO4 — CID 63689061

IUPAC2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid
SMILESCCN(C=O)C(C)(CC(C)(C)OC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-6-12(8-13)11(4,9(14)15)7-10(2,3)16-5/h8H,6-7H2,1-5H3,(H,14,15)
InChIKeyFBVHXYFVVFGTOI-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.12
Rot. Bonds7

About 2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid

2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid (PubChem CID 63689061) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid
PubChem CID63689061
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid
SMILESCCN(C=O)C(C)(CC(C)(C)OC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-6-12(8-13)11(4,9(14)15)7-10(2,3)16-5/h8H,6-7H2,1-5H3,(H,14,15)
InChIKeyFBVHXYFVVFGTOI-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[formyl(propyl)amino]-2-methylheptanoic acid
CID 80557943
2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868211
2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
CID 65061573
4-methoxy-2,4-dimethyl-2-propoxypentanoic acid
CID 114989299
2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 55232403
2-(diethylamino)-2-methylbutanoic acid
CID 43803567
4-methoxy-2,4-dimethyl-2-methylsulfanylpentanoic acid
CID 114989365
2-[ethyl(formyl)amino]-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 63688316
2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
CID 88755093
2-[formyl(propan-2-yl)amino]-2-methylpentanoic acid
CID 63704841
3-(diethylamino)-5-methoxy-5-methylhexanoic acid
CID 106676479
CID 175912914
CID 175912914

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid?
The IUPAC name of 2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid (CID 63689061) is 2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid is CCN(C=O)C(C)(CC(C)(C)OC)C(=O)O.
What is the InChIKey of 2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid?
The InChIKey is FBVHXYFVVFGTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-6-12(8-13)11(4,9(14)15)7-10(2,3)16-5/h8H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid?
2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(formyl)amino]-4-methoxy-2,4-dimethylpentanoic acid is sourced from PubChem (CID 63689061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).