2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid

C11H21NO5 — CID 120702050

IUPAC2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid
SMILESCCCCOCC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C11H21NO5/c1-3-4-6-17-8-10(13)12-9(11(14)15)5-7-16-2/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyQKWHLIOUJNIDKJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.41
Rot. Bonds10

About 2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid

2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid (PubChem CID 120702050) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid
PubChem CID120702050
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid
SMILESCCCCOCC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C11H21NO5/c1-3-4-6-17-8-10(13)12-9(11(14)15)5-7-16-2/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyQKWHLIOUJNIDKJ-UHFFFAOYSA-N
XLogP0.41
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.41
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-(heptanoylamino)-4-methoxybutanoic acid
CID 62479658
2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid
CID 62589911
(2S)-5-amino-5-oxo-2-[(2-propoxyacetyl)amino]pentanoic acid
CID 107937845
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-(decanoylamino)-5-methoxypentanoic acid
CID 81085342
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483
4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid
CID 62478643
2-[(2-butoxyacetyl)amino]-3-methylpentanoic acid
CID 119211767
N-(1-aminohexan-2-yl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119667872
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 55076340
(2S)-2-[(2-pentoxyacetyl)amino]-3-phenylpropanoic acid
CID 119366667

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid (CID 120702050) is 2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid is CCCCOCC(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid?
The InChIKey is QKWHLIOUJNIDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-3-4-6-17-8-10(13)12-9(11(14)15)5-7-16-2/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid?
2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid has a molecular weight of 247.29 g/mol, XLogP of 0.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 120702050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).