3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid

C19H21NO5 — CID 14236267

IUPAC3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid
SMILESCC(OCc1ccccc1)C(NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C19H21NO5/c1-14(24-12-15-8-4-2-5-9-15)17(18(21)22)20-19(23)25-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyFVKJXAYBJIAXAU-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.97
Rot. Bonds8

About 3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid

3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid (PubChem CID 14236267) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid
PubChem CID14236267
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid
SMILESCC(OCc1ccccc1)C(NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C19H21NO5/c1-14(24-12-15-8-4-2-5-9-15)17(18(21)22)20-19(23)25-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyFVKJXAYBJIAXAU-UHFFFAOYSA-N
XLogP2.97
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid?
The IUPAC name of 3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid (CID 14236267) is 3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid.
What is the SMILES notation for 3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid?
The canonical SMILES for 3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid is CC(OCc1ccccc1)C(NC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of 3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid?
The InChIKey is FVKJXAYBJIAXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-14(24-12-15-8-4-2-5-9-15)17(18(21)22)20-19(23)25-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid?
3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid has a molecular weight of 343.38 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 14236267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).