2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid

C17H17NO5 — CID 3808153

IUPAC2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid
SMILESCOc1ccc(COC(=O)NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO5/c1-22-14-9-7-12(8-10-14)11-23-17(21)18-15(16(19)20)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyIQBJCDGWWWEIHU-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.75
Rot. Bonds6

About 2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid

2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid (PubChem CID 3808153) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid
PubChem CID3808153
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid
SMILESCOc1ccc(COC(=O)NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO5/c1-22-14-9-7-12(8-10-14)11-23-17(21)18-15(16(19)20)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyIQBJCDGWWWEIHU-UHFFFAOYSA-N
XLogP2.75
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid (CID 3808153) is 2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid is COc1ccc(COC(=O)NC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid?
The InChIKey is IQBJCDGWWWEIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-22-14-9-7-12(8-10-14)11-23-17(21)18-15(16(19)20)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid?
2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid has a molecular weight of 315.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxycarbonylamino]-2-phenylacetic acid is sourced from PubChem (CID 3808153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).