2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid

C19H20FNO6 — CID 171856460

IUPAC2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1cc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1F
InChIInChI=1S/C19H20FNO6/c20-15-7-6-13(8-14(15)9-17(23)24)18(25)16(22)10-21-19(26)27-11-12-4-2-1-3-5-12/h1-8,16,18,22,25H,9-11H2,(H,21,26)(H,23,24)
InChIKeyZOTZUMVGODOLBI-UHFFFAOYSA-N
MW377.37 g/mol
LogP1.77
Rot. Bonds8

About 2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid

2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid (PubChem CID 171856460) has the molecular formula C19H20FNO6 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid
PubChem CID171856460
Molecular FormulaC19H20FNO6
Molecular Weight377.37 g/mol
Exact Mass377.13
IUPAC Name2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1cc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1F
InChIInChI=1S/C19H20FNO6/c20-15-7-6-13(8-14(15)9-17(23)24)18(25)16(22)10-21-19(26)27-11-12-4-2-1-3-5-12/h1-8,16,18,22,25H,9-11H2,(H,21,26)(H,23,24)
InChIKeyZOTZUMVGODOLBI-UHFFFAOYSA-N
XLogP1.77
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-(3-acetyl-4-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856245
benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855820
benzyl N-[4-[4-fluoro-3-(hydroxymethyl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171888327
benzyl N-[3-[4-chloro-3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855763
2-[5-chloro-2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenyl]acetic acid
CID 171856466
benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-3-methylphenyl]propyl]carbamate
CID 171855863
benzyl N-[3-(3-fluoro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855464
benzyl N-[2,3-dihydroxy-3-(3-methylphenyl)propyl]carbamate
CID 171855346
benzyl N-[3-[3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855447
benzyl N-[4-[4-(chloromethyl)-3-fluorophenyl]-3,4-dihydroxybutyl]carbamate
CID 171888275
benzyl N-[3-(4-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855602
5-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]-2-fluorobenzoic acid
CID 171888685

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid (CID 171856460) is 2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid is O=C(O)Cc1cc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1F.
What is the InChIKey of 2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid?
The InChIKey is ZOTZUMVGODOLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO6/c20-15-7-6-13(8-14(15)9-17(23)24)18(25)16(22)10-21-19(26)27-11-12-4-2-1-3-5-12/h1-8,16,18,22,25H,9-11H2,(H,21,26)(H,23,24).
What are the key properties of 2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid?
2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid has a molecular weight of 377.37 g/mol, XLogP of 1.77, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid is sourced from PubChem (CID 171856460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).