3-(3-ethoxypropylamino)-3-oxopropanoic acid

C8H15NO4 — CID 62232046

IUPAC3-(3-ethoxypropylamino)-3-oxopropanoic acid
SMILESCCOCCCNC(=O)CC(=O)O
InChIInChI=1S/C8H15NO4/c1-2-13-5-3-4-9-7(10)6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKeyVPXHBVFUUCZHBM-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.00
Rot. Bonds7

About 3-(3-ethoxypropylamino)-3-oxopropanoic acid

3-(3-ethoxypropylamino)-3-oxopropanoic acid (PubChem CID 62232046) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(3-ethoxypropylamino)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(3-ethoxypropylamino)-3-oxopropanoic acid
PubChem CID62232046
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-(3-ethoxypropylamino)-3-oxopropanoic acid
SMILESCCOCCCNC(=O)CC(=O)O
InChIInChI=1S/C8H15NO4/c1-2-13-5-3-4-9-7(10)6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKeyVPXHBVFUUCZHBM-UHFFFAOYSA-N
XLogP0.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid
CID 104889411
4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297863
N-(5-ethoxypentyl)propanamide
CID 91349564
N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
2-(2-aminoethoxy)-N-(3-ethoxypropyl)acetamide
CID 79463091
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
18-[[6-(2-ethoxyethylamino)-6-oxohexyl]amino]-18-oxooctadecanoic acid
CID 176877409
4-amino-N-(3-ethoxypropyl)pentanamide;hydrochloride
CID 120558779
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
CID 140926568

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropylamino)-3-oxopropanoic acid?
The IUPAC name of 3-(3-ethoxypropylamino)-3-oxopropanoic acid (CID 62232046) is 3-(3-ethoxypropylamino)-3-oxopropanoic acid.
What is the SMILES notation for 3-(3-ethoxypropylamino)-3-oxopropanoic acid?
The canonical SMILES for 3-(3-ethoxypropylamino)-3-oxopropanoic acid is CCOCCCNC(=O)CC(=O)O.
What is the InChIKey of 3-(3-ethoxypropylamino)-3-oxopropanoic acid?
The InChIKey is VPXHBVFUUCZHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-2-13-5-3-4-9-7(10)6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-(3-ethoxypropylamino)-3-oxopropanoic acid?
3-(3-ethoxypropylamino)-3-oxopropanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropylamino)-3-oxopropanoic acid is sourced from PubChem (CID 62232046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).