2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid

C13H25NO3 — CID 114868211

IUPAC2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid
SMILESCCN(C=O)C(CC(C)C)(CC(C)C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-6-14(9-15)13(12(16)17,7-10(2)3)8-11(4)5/h9-11H,6-8H2,1-5H3,(H,16,17)
InChIKeyXSTGKBDMGKALMB-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.38
Rot. Bonds8

About 2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid

2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid (PubChem CID 114868211) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid.

Molecular Properties

Compound Name2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid
PubChem CID114868211
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid
SMILESCCN(C=O)C(CC(C)C)(CC(C)C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-6-14(9-15)13(12(16)17,7-10(2)3)8-11(4)5/h9-11H,6-8H2,1-5H3,(H,16,17)
InChIKeyXSTGKBDMGKALMB-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid?
The IUPAC name of 2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid (CID 114868211) is 2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid.
What is the SMILES notation for 2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid?
The canonical SMILES for 2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid is CCN(C=O)C(CC(C)C)(CC(C)C)C(=O)O.
What is the InChIKey of 2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid?
The InChIKey is XSTGKBDMGKALMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-6-14(9-15)13(12(16)17,7-10(2)3)8-11(4)5/h9-11H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid?
2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid is sourced from PubChem (CID 114868211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).