2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid

C15H15F2NO3 — CID 124703141

IUPAC2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)C1CC1
InChIInChI=1S/C15H15F2NO3/c16-12-3-1-2-9(14(12)17)10-6-11(10)15(21)18(7-13(19)20)8-4-5-8/h1-3,8,10-11H,4-7H2,(H,19,20)/t10-,11-/m0/s1
InChIKeyPVUASBIFPPPTDN-QWRGUYRKSA-N
MW295.28 g/mol
LogP2.14
Rot. Bonds5

About 2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid

2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid (PubChem CID 124703141) has the molecular formula C15H15F2NO3 and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid
PubChem CID124703141
Molecular FormulaC15H15F2NO3
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)C1CC1
InChIInChI=1S/C15H15F2NO3/c16-12-3-1-2-9(14(12)17)10-6-11(10)15(21)18(7-13(19)20)8-4-5-8/h1-3,8,10-11H,4-7H2,(H,19,20)/t10-,11-/m0/s1
InChIKeyPVUASBIFPPPTDN-QWRGUYRKSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid (CID 124703141) is 2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid is O=C(O)CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
The InChIKey is PVUASBIFPPPTDN-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H15F2NO3/c16-12-3-1-2-9(14(12)17)10-6-11(10)15(21)18(7-13(19)20)8-4-5-8/h1-3,8,10-11H,4-7H2,(H,19,20)/t10-,11-/m0/s1.
What are the key properties of 2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid?
2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid has a molecular weight of 295.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]acetic acid is sourced from PubChem (CID 124703141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).