2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid

C14H16F2N2O3 — CID 43658790

IUPAC2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCc1cccc(F)c1F)(C(=O)O)C1CC1
InChIInChI=1S/C14H16F2N2O3/c1-14(12(19)20,9-5-6-9)18-13(21)17-7-8-3-2-4-10(15)11(8)16/h2-4,9H,5-7H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyRBNBEYULDPOXHL-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.02
Rot. Bonds5

About 2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid

2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid (PubChem CID 43658790) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid
PubChem CID43658790
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCc1cccc(F)c1F)(C(=O)O)C1CC1
InChIInChI=1S/C14H16F2N2O3/c1-14(12(19)20,9-5-6-9)18-13(21)17-7-8-3-2-4-10(15)11(8)16/h2-4,9H,5-7H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyRBNBEYULDPOXHL-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-2-cyclopropylpropanoic acid
CID 43101313
2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 61201728
2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine
CID 103700276
2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61402734
2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 24708312
2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid
CID 103586744
2-[(2-fluoro-3-nitrophenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 107348064
2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid
CID 61184318
2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid
CID 61408631
2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
CID 106303825
2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid
CID 61181557
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
CID 103513145

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid (CID 43658790) is 2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid is CC(NC(=O)NCc1cccc(F)c1F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid?
The InChIKey is RBNBEYULDPOXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-14(12(19)20,9-5-6-9)18-13(21)17-7-8-3-2-4-10(15)11(8)16/h2-4,9H,5-7H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid?
2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid has a molecular weight of 298.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 43658790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).