2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid

C12H14F2N2O3 — CID 61195377

IUPAC2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C12H14F2N2O3/c1-2-6-16(7-10(17)18)12(19)15-11-8(13)4-3-5-9(11)14/h3-5H,2,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyULDOBUPOYDBDDO-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.29
Rot. Bonds5

About 2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid

2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid (PubChem CID 61195377) has the molecular formula C12H14F2N2O3 and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid
PubChem CID61195377
Molecular FormulaC12H14F2N2O3
Molecular Weight272.25 g/mol
Exact Mass272.10
IUPAC Name2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C12H14F2N2O3/c1-2-6-16(7-10(17)18)12(19)15-11-8(13)4-3-5-9(11)14/h3-5H,2,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyULDOBUPOYDBDDO-UHFFFAOYSA-N
XLogP2.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-difluorophenyl)-1,1-dipropylurea
CID 108991003
2-[carboxymethyl-[(2,6-difluorophenyl)carbamoyl]amino]acetic acid
CID 63644934
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008696
2-[(2,6-difluorophenyl)carbamoyl-prop-2-ynylamino]acetic acid
CID 79284756
2-[(2,6-difluorobenzoyl)-propylamino]acetic acid
CID 61011405
2-[(2-chloro-4,6-difluorophenyl)carbamoyl-propylamino]acetic acid
CID 83087251
N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide
CID 108952519
2-[(2-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61195729
2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61008181
2-[(4-bromo-3-fluorophenyl)carbamoyl-propylamino]acetic acid
CID 65437389
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
2-[(2-chloro-6-fluorobenzoyl)-propylamino]acetic acid
CID 61011677

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid?
The IUPAC name of 2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid (CID 61195377) is 2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid?
The canonical SMILES for 2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid?
The InChIKey is ULDOBUPOYDBDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3/c1-2-6-16(7-10(17)18)12(19)15-11-8(13)4-3-5-9(11)14/h3-5H,2,6-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid?
2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid has a molecular weight of 272.25 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid is sourced from PubChem (CID 61195377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).