2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid

C13H13Cl3N2O3 — CID 61186056

IUPAC2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)(C(=O)O)C1CC1
InChIInChI=1S/C13H13Cl3N2O3/c1-13(11(19)20,6-2-3-6)18-12(21)17-10-8(15)4-7(14)5-9(10)16/h4-6H,2-3H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyFQTCRHODOXPOKK-UHFFFAOYSA-N
MW351.62 g/mol
LogP4.02
Rot. Bonds4

About 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid

2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid (PubChem CID 61186056) has the molecular formula C13H13Cl3N2O3 and a molecular weight of 351.62 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid
PubChem CID61186056
Molecular FormulaC13H13Cl3N2O3
Molecular Weight351.62 g/mol
Exact Mass350.00
IUPAC Name2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)(C(=O)O)C1CC1
InChIInChI=1S/C13H13Cl3N2O3/c1-13(11(19)20,6-2-3-6)18-12(21)17-10-8(15)4-7(14)5-9(10)16/h4-6H,2-3H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyFQTCRHODOXPOKK-UHFFFAOYSA-N
XLogP4.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 43163255
2-cyclopropyl-2-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]propanoic acid
CID 107576368
2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid
CID 61181557
2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid
CID 61185585
2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid
CID 43361631
2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid
CID 103586744
1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea
CID 116654082
2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 115378476
2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid
CID 61184318
2-[[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]amino]-2-cyclopropylpropanoic acid
CID 43172498
1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea
CID 67521970
2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 106760398

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid (CID 61186056) is 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid is CC(NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid?
The InChIKey is FQTCRHODOXPOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N2O3/c1-13(11(19)20,6-2-3-6)18-12(21)17-10-8(15)4-7(14)5-9(10)16/h4-6H,2-3H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid?
2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid has a molecular weight of 351.62 g/mol, XLogP of 4.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 61186056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).