3-ethyl-2-(pentanoylamino)pentanoic acid

C12H23NO3 — CID 115730836

IUPAC3-ethyl-2-(pentanoylamino)pentanoic acid
SMILESCCCCC(=O)NC(C(=O)O)C(CC)CC
InChIInChI=1S/C12H23NO3/c1-4-7-8-10(14)13-11(12(15)16)9(5-2)6-3/h9,11H,4-8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyOPIAANQJCDLBHY-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.18
Rot. Bonds8

About 3-ethyl-2-(pentanoylamino)pentanoic acid

3-ethyl-2-(pentanoylamino)pentanoic acid (PubChem CID 115730836) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-ethyl-2-(pentanoylamino)pentanoic acid.

Molecular Properties

Compound Name3-ethyl-2-(pentanoylamino)pentanoic acid
PubChem CID115730836
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-ethyl-2-(pentanoylamino)pentanoic acid
SMILESCCCCC(=O)NC(C(=O)O)C(CC)CC
InChIInChI=1S/C12H23NO3/c1-4-7-8-10(14)13-11(12(15)16)9(5-2)6-3/h9,11H,4-8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyOPIAANQJCDLBHY-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-methyl-2-(pentadecanoylamino)pentanoic acid
CID 10196275
3-methyl-2-(tetradecanoylamino)pentanoic acid
CID 13002787
(2S)-2-(docosanoylamino)-3-methylpentanoic acid
CID 139298732
(2S)-3-methyl-2-(octadecanoylamino)pentanoic acid
CID 90103267
(2S,3S)-2-(henicosanoylamino)-3-methylpentanoic acid
CID 171116876
2-(henicosanoylamino)-3-methylpentanoic acid
CID 11690720
2-(hexadecanoylamino)-3-methylbutanoic acid
CID 3687398
(2S)-3-methyl-2-(tetracosanoylamino)butanoic acid
CID 171117118
(2R)-3-methyl-2-(nonanoylamino)butanoic acid
CID 79010632
(2S)-2-(hexanoylamino)-3-hydroxybutanoic acid
CID 88714343
3-hydroxy-2-(octadecanoylamino)butanoic acid
CID 5033246
(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid
CID 90103155

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(pentanoylamino)pentanoic acid?
The IUPAC name of 3-ethyl-2-(pentanoylamino)pentanoic acid (CID 115730836) is 3-ethyl-2-(pentanoylamino)pentanoic acid.
What is the SMILES notation for 3-ethyl-2-(pentanoylamino)pentanoic acid?
The canonical SMILES for 3-ethyl-2-(pentanoylamino)pentanoic acid is CCCCC(=O)NC(C(=O)O)C(CC)CC.
What is the InChIKey of 3-ethyl-2-(pentanoylamino)pentanoic acid?
The InChIKey is OPIAANQJCDLBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-7-8-10(14)13-11(12(15)16)9(5-2)6-3/h9,11H,4-8H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-ethyl-2-(pentanoylamino)pentanoic acid?
3-ethyl-2-(pentanoylamino)pentanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(pentanoylamino)pentanoic acid is sourced from PubChem (CID 115730836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).