2-(2-ethylbutanoylamino)pentanoic acid

C11H21NO3 — CID 43630315

IUPAC2-(2-ethylbutanoylamino)pentanoic acid
SMILESCCCC(NC(=O)C(CC)CC)C(=O)O
InChIInChI=1S/C11H21NO3/c1-4-7-9(11(14)15)12-10(13)8(5-2)6-3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyGZNCGEPOLPBCPC-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds7

About 2-(2-ethylbutanoylamino)pentanoic acid

2-(2-ethylbutanoylamino)pentanoic acid (PubChem CID 43630315) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(2-ethylbutanoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(2-ethylbutanoylamino)pentanoic acid
PubChem CID43630315
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(2-ethylbutanoylamino)pentanoic acid
SMILESCCCC(NC(=O)C(CC)CC)C(=O)O
InChIInChI=1S/C11H21NO3/c1-4-7-9(11(14)15)12-10(13)8(5-2)6-3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyGZNCGEPOLPBCPC-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
(2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid
CID 107822514
(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
CID 103869979
2-[2-(aminomethyl)butanoylamino]hexanoic acid
CID 65229403
(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
CID 107563339
2-(2-propylpentanoylamino)butanedioic acid
CID 82985290
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
CID 107564986
4-methylsulfanyl-2-(2-propylpentanoylamino)butanoic acid
CID 82984187
(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
CID 18606616
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutanoylamino)pentanoic acid?
The IUPAC name of 2-(2-ethylbutanoylamino)pentanoic acid (CID 43630315) is 2-(2-ethylbutanoylamino)pentanoic acid.
What is the SMILES notation for 2-(2-ethylbutanoylamino)pentanoic acid?
The canonical SMILES for 2-(2-ethylbutanoylamino)pentanoic acid is CCCC(NC(=O)C(CC)CC)C(=O)O.
What is the InChIKey of 2-(2-ethylbutanoylamino)pentanoic acid?
The InChIKey is GZNCGEPOLPBCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-7-9(11(14)15)12-10(13)8(5-2)6-3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-ethylbutanoylamino)pentanoic acid?
2-(2-ethylbutanoylamino)pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutanoylamino)pentanoic acid is sourced from PubChem (CID 43630315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).