4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid

C11H22N2O3 — CID 62836158

IUPAC4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
SMILESCCNCCC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-12-8-6-9(14)13-11(2,3)7-5-10(15)16/h12H,4-8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyUDYZVOFTYRYKGH-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.75
Rot. Bonds8

About 4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid

4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid (PubChem CID 62836158) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
PubChem CID62836158
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
SMILESCCNCCC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-12-8-6-9(14)13-11(2,3)7-5-10(15)16/h12H,4-8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyUDYZVOFTYRYKGH-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
CID 106096656
4-methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid
CID 79803793
4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 102113261
4-methyl-4-[(4-methyl-4-nitropentanoyl)amino]pentanoic acid
CID 10880301
4-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-methylpentanoic acid
CID 119357141
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid
CID 103263111
4-(5-methoxypentanoylamino)-4-methylpentanoic acid
CID 119203844
6-[[3-(ethylamino)-3-oxopropyl]amino]-4,4-dimethylhexanoic acid
CID 65287716

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid (CID 62836158) is 4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid is CCNCCC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid?
The InChIKey is UDYZVOFTYRYKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-12-8-6-9(14)13-11(2,3)7-5-10(15)16/h12H,4-8H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid?
4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 62836158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).