3-(3-propoxypropanoylamino)butanoic acid

C10H19NO4 — CID 62686783

IUPAC3-(3-propoxypropanoylamino)butanoic acid
SMILESCCCOCCC(=O)NC(C)CC(=O)O
InChIInChI=1S/C10H19NO4/c1-3-5-15-6-4-9(12)11-8(2)7-10(13)14/h8H,3-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyLGVVIVYUVVBAEX-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds8

About 3-(3-propoxypropanoylamino)butanoic acid

3-(3-propoxypropanoylamino)butanoic acid (PubChem CID 62686783) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-(3-propoxypropanoylamino)butanoic acid.

Molecular Properties

Compound Name3-(3-propoxypropanoylamino)butanoic acid
PubChem CID62686783
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-(3-propoxypropanoylamino)butanoic acid
SMILESCCCOCCC(=O)NC(C)CC(=O)O
InChIInChI=1S/C10H19NO4/c1-3-5-15-6-4-9(12)11-8(2)7-10(13)14/h8H,3-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyLGVVIVYUVVBAEX-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
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

N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
(2S)-3-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104204
(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid
CID 80750974
3-(heptanoylamino)butanoic acid
CID 43360958
2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid
CID 62686785
3-[(2-propoxyacetyl)amino]butanamide
CID 103711750
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
(2S)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104203
(2R)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 107830090
3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
CID 154677786
N-[(2R)-2-hydroxypropyl]-3-propoxypropanamide
CID 83060047
(2S)-4-methylsulfanyl-2-(3-propoxypropanoylamino)butanoic acid
CID 62715100

Frequently Asked Questions

What is the IUPAC name of 3-(3-propoxypropanoylamino)butanoic acid?
The IUPAC name of 3-(3-propoxypropanoylamino)butanoic acid (CID 62686783) is 3-(3-propoxypropanoylamino)butanoic acid.
What is the SMILES notation for 3-(3-propoxypropanoylamino)butanoic acid?
The canonical SMILES for 3-(3-propoxypropanoylamino)butanoic acid is CCCOCCC(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-(3-propoxypropanoylamino)butanoic acid?
The InChIKey is LGVVIVYUVVBAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-5-15-6-4-9(12)11-8(2)7-10(13)14/h8H,3-7H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-(3-propoxypropanoylamino)butanoic acid?
3-(3-propoxypropanoylamino)butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypropanoylamino)butanoic acid is sourced from PubChem (CID 62686783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).