2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid

C11H21NO4 — CID 78980705

IUPAC2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid
SMILESCCOCCCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C11H21NO4/c1-4-16-7-5-6-10(13)12(9(2)3)8-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyFIPLMKZBBKHTRR-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.12
Rot. Bonds8

About 2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid

2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid (PubChem CID 78980705) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid
PubChem CID78980705
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid
SMILESCCOCCCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C11H21NO4/c1-4-16-7-5-6-10(13)12(9(2)3)8-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyFIPLMKZBBKHTRR-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-phenylmethoxybutanoyl(propan-2-yl)amino]acetic acid
CID 119198503
2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid
CID 60831185
2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
CID 62590585
2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid
CID 119198563
4-[3-ethoxypropanoyl(propan-2-yl)amino]butanoic acid
CID 55091738
2-[4-(2-methylphenoxy)butanoyl-propan-2-ylamino]acetic acid
CID 60832572
2-[4-(4-methylsulfonylphenoxy)butanoyl-propan-2-ylamino]acetic acid
CID 119198017
N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide
CID 77037878
2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid
CID 61162403
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid
CID 119203177

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid (CID 78980705) is 2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid is CCOCCCC(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid?
The InChIKey is FIPLMKZBBKHTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-16-7-5-6-10(13)12(9(2)3)8-11(14)15/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid?
2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid has a molecular weight of 231.29 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 78980705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).