2-[(3,4-difluorophenoxy)carbonylamino]acetic acid

C9H7F2NO4 — CID 82289036

IUPAC2-[(3,4-difluorophenoxy)carbonylamino]acetic acid
SMILESO=C(O)CNC(=O)Oc1ccc(F)c(F)c1
InChIInChI=1S/C9H7F2NO4/c10-6-2-1-5(3-7(6)11)16-9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKeyVZYXATRNLNVPNS-UHFFFAOYSA-N
MW231.15 g/mol
LogP1.14
Rot. Bonds3

About 2-[(3,4-difluorophenoxy)carbonylamino]acetic acid

2-[(3,4-difluorophenoxy)carbonylamino]acetic acid (PubChem CID 82289036) has the molecular formula C9H7F2NO4 and a molecular weight of 231.15 g/mol. Its IUPAC name is 2-[(3,4-difluorophenoxy)carbonylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,4-difluorophenoxy)carbonylamino]acetic acid
PubChem CID82289036
Molecular FormulaC9H7F2NO4
Molecular Weight231.15 g/mol
Exact Mass231.03
IUPAC Name2-[(3,4-difluorophenoxy)carbonylamino]acetic acid
SMILESO=C(O)CNC(=O)Oc1ccc(F)c(F)c1
InChIInChI=1S/C9H7F2NO4/c10-6-2-1-5(3-7(6)11)16-9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKeyVZYXATRNLNVPNS-UHFFFAOYSA-N
XLogP1.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(3,4-difluorophenyl) propanedioate
CID 90195185
2-[(4-bromophenoxy)carbonylamino]acetic acid
CID 82306718
(3,4-difluorophenyl) 3-aminopropanoate
CID 82112405
ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353
(Z)-2-(3,4-difluorophenoxy)but-2-enoic acid
CID 90001858
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene
CID 142371209
2-[[3-(2-nitrooxyethyl)phenoxy]carbonylamino]acetic acid
CID 59287794
(3,4-difluorophenyl) N-[[4-[4-(dimethylamino)butoxy]cyclohexyl]methyl]carbamate
CID 141050277
2-[2-[(3,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 115460701
4-(3,4-difluorophenoxy)-4-methylpentanoic acid
CID 82085388
3-(naphthalen-2-yloxycarbonylamino)propanoic acid
CID 82300933

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenoxy)carbonylamino]acetic acid?
The IUPAC name of 2-[(3,4-difluorophenoxy)carbonylamino]acetic acid (CID 82289036) is 2-[(3,4-difluorophenoxy)carbonylamino]acetic acid.
What is the SMILES notation for 2-[(3,4-difluorophenoxy)carbonylamino]acetic acid?
The canonical SMILES for 2-[(3,4-difluorophenoxy)carbonylamino]acetic acid is O=C(O)CNC(=O)Oc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenoxy)carbonylamino]acetic acid?
The InChIKey is VZYXATRNLNVPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO4/c10-6-2-1-5(3-7(6)11)16-9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14).
What are the key properties of 2-[(3,4-difluorophenoxy)carbonylamino]acetic acid?
2-[(3,4-difluorophenoxy)carbonylamino]acetic acid has a molecular weight of 231.15 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenoxy)carbonylamino]acetic acid is sourced from PubChem (CID 82289036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).