2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid

C11H22N2O3 — CID 79803793

IUPAC2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid
SMILESCCNCCC(=O)NC(CC)(CC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-11(5-2,10(15)16)13-9(14)7-8-12-6-3/h12H,4-8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyUKVOTJJDOSNWDP-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.75
Rot. Bonds8

About 2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid

2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid (PubChem CID 79803793) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid
PubChem CID79803793
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid
SMILESCCNCCC(=O)NC(CC)(CC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-11(5-2,10(15)16)13-9(14)7-8-12-6-3/h12H,4-8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyUKVOTJJDOSNWDP-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

4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803868
2-[(4-ethoxy-4-oxobutanoyl)amino]-2-ethylbutanoic acid
CID 79806465
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-ethylbutanoic acid
CID 79803621
3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
CID 106096656
2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid
CID 79806522
2-[(4-amino-4-oxobutyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804642
2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid
CID 79804588
2-[3-(4-aminophenyl)propanoylamino]-2-ethylbutanoic acid
CID 115341581

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid?
The IUPAC name of 2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid (CID 79803793) is 2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid is CCNCCC(=O)NC(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid?
The InChIKey is UKVOTJJDOSNWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-11(5-2,10(15)16)13-9(14)7-8-12-6-3/h12H,4-8H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid?
2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic 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 2-ethyl-2-[3-(ethylamino)propanoylamino]butanoic acid is sourced from PubChem (CID 79803793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).