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

C10H9F2NO4 — CID 82294566

IUPAC3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Oc1ccc(F)cc1F
InChIInChI=1S/C10H9F2NO4/c11-6-1-2-8(7(12)5-6)17-10(16)13-4-3-9(14)15/h1-2,5H,3-4H2,(H,13,16)(H,14,15)
InChIKeyKUVKRGWXXINKJG-UHFFFAOYSA-N
MW245.18 g/mol
LogP1.53
Rot. Bonds4

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

3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid (PubChem CID 82294566) has the molecular formula C10H9F2NO4 and a molecular weight of 245.18 g/mol. Its IUPAC name is 3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid
PubChem CID82294566
Molecular FormulaC10H9F2NO4
Molecular Weight245.18 g/mol
Exact Mass245.05
IUPAC Name3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Oc1ccc(F)cc1F
InChIInChI=1S/C10H9F2NO4/c11-6-1-2-8(7(12)5-6)17-10(16)13-4-3-9(14)15/h1-2,5H,3-4H2,(H,13,16)(H,14,15)
InChIKeyKUVKRGWXXINKJG-UHFFFAOYSA-N
XLogP1.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate
CID 116819702
3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
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3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid
CID 122019186
3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid
CID 174775948
(2,4-difluorophenyl) propanoate
CID 18525986
(2,5-difluorophenyl) N-ethylcarbamate
CID 127549988
(2,4-difluorophenyl) 2-(benzylamino)-2-oxoacetate
CID 58981575
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
3-[[2-(2,4,6-trifluorophenyl)acetyl]amino]propanoic acid
CID 110487520
3-(naphthalen-2-yloxycarbonylamino)propanoic acid
CID 82300933
3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid
CID 115596361
3-[[2-(difluoromethoxy)-4-fluorophenyl]carbamoylamino]propanoic acid
CID 122085733

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid?
The IUPAC name of 3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid (CID 82294566) is 3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid.
What is the SMILES notation for 3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid?
The canonical SMILES for 3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid is O=C(O)CCNC(=O)Oc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid?
The InChIKey is KUVKRGWXXINKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO4/c11-6-1-2-8(7(12)5-6)17-10(16)13-4-3-9(14)15/h1-2,5H,3-4H2,(H,13,16)(H,14,15).
What are the key properties of 3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid?
3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid has a molecular weight of 245.18 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid is sourced from PubChem (CID 82294566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).