2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid

C12H23NO5 — CID 119954791

IUPAC2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CCOCCOC
InChIInChI=1S/C12H23NO5/c1-4-10(2)13(9-12(15)16)11(14)5-6-18-8-7-17-3/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeySGZLXYZMPYZWCT-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.75
Rot. Bonds10

About 2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid

2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid (PubChem CID 119954791) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid
PubChem CID119954791
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CCOCCOC
InChIInChI=1S/C12H23NO5/c1-4-10(2)13(9-12(15)16)11(14)5-6-18-8-7-17-3/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeySGZLXYZMPYZWCT-UHFFFAOYSA-N
XLogP0.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid
CID 119198563
2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
CID 62590585
2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 61428242
2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 54948701
2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid
CID 60828723
2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid
CID 82011908
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid
CID 115749928
2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid
CID 61161496
2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid
CID 78980705

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid (CID 119954791) is 2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)CCOCCOC.
What is the InChIKey of 2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid?
The InChIKey is SGZLXYZMPYZWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-4-10(2)13(9-12(15)16)11(14)5-6-18-8-7-17-3/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid?
2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 0.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid is sourced from PubChem (CID 119954791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).