2-(ethylamino)-4-propoxybutanoic acid

C9H19NO3 — CID 63034950

IUPAC2-(ethylamino)-4-propoxybutanoic acid
SMILESCCCOCCC(NCC)C(=O)O
InChIInChI=1S/C9H19NO3/c1-3-6-13-7-5-8(9(11)12)10-4-2/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyTZKSHBNXHVTIQM-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.87
Rot. Bonds8

About 2-(ethylamino)-4-propoxybutanoic acid

2-(ethylamino)-4-propoxybutanoic acid (PubChem CID 63034950) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-(ethylamino)-4-propoxybutanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-propoxybutanoic acid
PubChem CID63034950
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-(ethylamino)-4-propoxybutanoic acid
SMILESCCCOCCC(NCC)C(=O)O
InChIInChI=1S/C9H19NO3/c1-3-6-13-7-5-8(9(11)12)10-4-2/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyTZKSHBNXHVTIQM-UHFFFAOYSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674
2-(ethylamino)-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 63039882
ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
CID 63686784
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311
N-ethyl-2-methyl-5-propoxypent-1-en-3-amine
CID 105163614
2-(2-propoxyethylamino)pentanoic acid
CID 106454592
2-(ethylamino)-4-pentan-2-yloxybutanoic acid
CID 102984247
4-(3-methylbutoxy)-2-(propylamino)butanoic acid
CID 63039470
4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid
CID 63034967
4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
CID 55144727
2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid
CID 104565225
2-(ethylamino)-4-pentoxybutanamide
CID 63034257

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-propoxybutanoic acid?
The IUPAC name of 2-(ethylamino)-4-propoxybutanoic acid (CID 63034950) is 2-(ethylamino)-4-propoxybutanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-propoxybutanoic acid?
The canonical SMILES for 2-(ethylamino)-4-propoxybutanoic acid is CCCOCCC(NCC)C(=O)O.
What is the InChIKey of 2-(ethylamino)-4-propoxybutanoic acid?
The InChIKey is TZKSHBNXHVTIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-6-13-7-5-8(9(11)12)10-4-2/h8,10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-(ethylamino)-4-propoxybutanoic acid?
2-(ethylamino)-4-propoxybutanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-propoxybutanoic acid is sourced from PubChem (CID 63034950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).