2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid

C14H19NO4 — CID 60832575

IUPAC2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid
SMILESCOCc1ccccc1C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C14H19NO4/c1-10(2)15(8-13(16)17)14(18)12-7-5-4-6-11(12)9-19-3/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyLOEDZSPKZZDPAQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.77
Rot. Bonds6

About 2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid

2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid (PubChem CID 60832575) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid
PubChem CID60832575
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid
SMILESCOCc1ccccc1C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C14H19NO4/c1-10(2)15(8-13(16)17)14(18)12-7-5-4-6-11(12)9-19-3/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyLOEDZSPKZZDPAQ-UHFFFAOYSA-N
XLogP1.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid (CID 60832575) is 2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid is COCc1ccccc1C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid?
The InChIKey is LOEDZSPKZZDPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)15(8-13(16)17)14(18)12-7-5-4-6-11(12)9-19-3/h4-7,10H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid?
2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethyl)benzoyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60832575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).