2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid

C14H17NO7 — CID 21466077

IUPAC2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(C(=O)CN)cc1OCC(=O)O)C(=O)O
InChIInChI=1S/C14H17NO7/c1-14(2,13(19)20)22-10-4-3-8(9(16)6-15)5-11(10)21-7-12(17)18/h3-5H,6-7,15H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyRCNSSOMSRQNDDC-UHFFFAOYSA-N
MW311.29 g/mol
LogP0.53
Rot. Bonds8

About 2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid

2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid (PubChem CID 21466077) has the molecular formula C14H17NO7 and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid
PubChem CID21466077
Molecular FormulaC14H17NO7
Molecular Weight311.29 g/mol
Exact Mass311.10
IUPAC Name2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(C(=O)CN)cc1OCC(=O)O)C(=O)O
InChIInChI=1S/C14H17NO7/c1-14(2,13(19)20)22-10-4-3-8(9(16)6-15)5-11(10)21-7-12(17)18/h3-5H,6-7,15H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyRCNSSOMSRQNDDC-UHFFFAOYSA-N
XLogP0.53
TPSA136.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid (CID 21466077) is 2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid is CC(C)(Oc1ccc(C(=O)CN)cc1OCC(=O)O)C(=O)O.
What is the InChIKey of 2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid?
The InChIKey is RCNSSOMSRQNDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO7/c1-14(2,13(19)20)22-10-4-3-8(9(16)6-15)5-11(10)21-7-12(17)18/h3-5H,6-7,15H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid?
2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid has a molecular weight of 311.29 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoacetyl)-2-(carboxymethoxy)phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 21466077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).