2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid

C16H13F2NO4 — CID 103663648

IUPAC2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1cccc(F)c1F)OCc1ccccc1
InChIInChI=1S/C16H13F2NO4/c17-12-8-4-7-11(13(12)18)14(15(20)21)19-16(22)23-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,19,22)(H,20,21)
InChIKeyGWWADSOKWSTZQI-UHFFFAOYSA-N
MW321.28 g/mol
LogP3.02
Rot. Bonds5

About 2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid

2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid (PubChem CID 103663648) has the molecular formula C16H13F2NO4 and a molecular weight of 321.28 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
PubChem CID103663648
Molecular FormulaC16H13F2NO4
Molecular Weight321.28 g/mol
Exact Mass321.08
IUPAC Name2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1cccc(F)c1F)OCc1ccccc1
InChIInChI=1S/C16H13F2NO4/c17-12-8-4-7-11(13(12)18)14(15(20)21)19-16(22)23-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,19,22)(H,20,21)
InChIKeyGWWADSOKWSTZQI-UHFFFAOYSA-N
XLogP3.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
2-(4-chloro-3-fluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309299
benzyl 2,3-difluorobenzoate
CID 62867579
2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309293
4-(2-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 103819661
(2S)-2-iodo-2-(phenylmethoxycarbonylamino)acetic acid
CID 126547050
(3R)-3-(5-chloro-2-fluorophenyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104980095
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729
2-(4,5-dibromothiophen-2-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 102841122
benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate
CID 11346335
2-(phenylmethoxycarbonylamino)-3-(2,4,5-trifluorophenyl)propanoic acid
CID 66639561
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid?
The IUPAC name of 2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid (CID 103663648) is 2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid?
The canonical SMILES for 2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid is O=C(NC(C(=O)O)c1cccc(F)c1F)OCc1ccccc1.
What is the InChIKey of 2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid?
The InChIKey is GWWADSOKWSTZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4/c17-12-8-4-7-11(13(12)18)14(15(20)21)19-16(22)23-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,19,22)(H,20,21).
What are the key properties of 2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid?
2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid has a molecular weight of 321.28 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid is sourced from PubChem (CID 103663648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).