4-ethoxy-2-(propylamino)butanoic acid

C9H19NO3 — CID 63039311

IUPAC4-ethoxy-2-(propylamino)butanoic acid
SMILESCCCNC(CCOCC)C(=O)O
InChIInChI=1S/C9H19NO3/c1-3-6-10-8(9(11)12)5-7-13-4-2/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyGCXZNSJRVLBLMO-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.87
Rot. Bonds8

About 4-ethoxy-2-(propylamino)butanoic acid

4-ethoxy-2-(propylamino)butanoic acid (PubChem CID 63039311) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-ethoxy-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-ethoxy-2-(propylamino)butanoic acid
PubChem CID63039311
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4-ethoxy-2-(propylamino)butanoic acid
SMILESCCCNC(CCOCC)C(=O)O
InChIInChI=1S/C9H19NO3/c1-3-6-10-8(9(11)12)5-7-13-4-2/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyGCXZNSJRVLBLMO-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

4-(3-methylbutoxy)-2-(propylamino)butanoic acid
CID 63039470
4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
CID 55144727
2-(ethylamino)-4-propoxybutanoic acid
CID 63034950
(2S)-4-acetyloxy-2-(propylamino)butanoic acid
CID 150823529
2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674
2-(2-ethoxyethylamino)butanoic acid
CID 64668941
3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid
CID 55228271
2-(2-propoxyethylamino)pentanoic acid
CID 106454592
2-(propylamino)tetradecanoic acid
CID 54527307
calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
CID 174783521
(2S)-4-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 129370818
azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride
CID 174910345

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(propylamino)butanoic acid?
The IUPAC name of 4-ethoxy-2-(propylamino)butanoic acid (CID 63039311) is 4-ethoxy-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-ethoxy-2-(propylamino)butanoic acid?
The canonical SMILES for 4-ethoxy-2-(propylamino)butanoic acid is CCCNC(CCOCC)C(=O)O.
What is the InChIKey of 4-ethoxy-2-(propylamino)butanoic acid?
The InChIKey is GCXZNSJRVLBLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-6-10-8(9(11)12)5-7-13-4-2/h8,10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 4-ethoxy-2-(propylamino)butanoic acid?
4-ethoxy-2-(propylamino)butanoic 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 4-ethoxy-2-(propylamino)butanoic acid is sourced from PubChem (CID 63039311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).