4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid

C12H23NO4 — CID 103018314

IUPAC4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid
SMILESCOC(C)(C)C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C12H23NO4/c1-9(2)13(8-6-7-10(14)15)11(16)12(3,4)17-5/h9H,6-8H2,1-5H3,(H,14,15)
InChIKeyILZSGKHGFPQNHU-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.51
Rot. Bonds7

About 4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid

4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid (PubChem CID 103018314) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid
PubChem CID103018314
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid
SMILESCOC(C)(C)C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C12H23NO4/c1-9(2)13(8-6-7-10(14)15)11(16)12(3,4)17-5/h9H,6-8H2,1-5H3,(H,14,15)
InChIKeyILZSGKHGFPQNHU-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2,2-dimethylbutanoyl(propan-2-yl)amino]butanoic acid
CID 62679528
4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid
CID 65269921
4-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]butanoic acid
CID 103034658
4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid
CID 61161104
4-[(2-amino-3,3-dimethylbutanoyl)-propan-2-ylamino]butanoic acid
CID 76894241
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61428193
4-[3-ethoxypropanoyl(propan-2-yl)amino]butanoic acid
CID 55091738
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid
CID 61160723
4-[(2-amino-5-methoxypentanoyl)-propan-2-ylamino]butanoic acid
CID 81089259

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid (CID 103018314) is 4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid is COC(C)(C)C(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid?
The InChIKey is ILZSGKHGFPQNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-9(2)13(8-6-7-10(14)15)11(16)12(3,4)17-5/h9H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid?
4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-2-methylpropanoyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 103018314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).