2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid

C10H19NO5 — CID 62589911

IUPAC2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid
SMILESCCOCCC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C10H19NO5/c1-3-16-7-5-9(12)11-8(10(13)14)4-6-15-2/h8H,3-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyWAUFCVVLJMQTPO-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.02
Rot. Bonds9

About 2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid

2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid (PubChem CID 62589911) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid
PubChem CID62589911
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid
SMILESCCOCCC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C10H19NO5/c1-3-16-7-5-9(12)11-8(10(13)14)4-6-15-2/h8H,3-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyWAUFCVVLJMQTPO-UHFFFAOYSA-N
XLogP0.02
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxypropanoylamino)-3-methoxypropanoic acid
CID 81076376
(2S)-5-amino-2-(3-ethoxypropanoylamino)-5-oxopentanoic acid
CID 62591193
(2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid
CID 80750602
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483
2-(heptanoylamino)-4-methoxybutanoic acid
CID 62479658
4-methoxy-2-(3-phenylmethoxypropanoylamino)butanoic acid
CID 120702080
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307
2-(3-methoxypropanoylamino)pentanedioic acid
CID 62590397
(2S)-2-(4-ethoxybutanoylamino)pentanoic acid
CID 107564387
(2R)-2-(4-ethoxybutanoylamino)-5-methoxy-5-oxopentanoic acid
CID 107820770
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
2-(7-aminoheptanoylamino)-4-methoxybutanoic acid
CID 62478125

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid?
The IUPAC name of 2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid (CID 62589911) is 2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid.
What is the SMILES notation for 2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid?
The canonical SMILES for 2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid is CCOCCC(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid?
The InChIKey is WAUFCVVLJMQTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-3-16-7-5-9(12)11-8(10(13)14)4-6-15-2/h8H,3-7H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid?
2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid has a molecular weight of 233.26 g/mol, XLogP of 0.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid is sourced from PubChem (CID 62589911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).