3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid

C10H10ClF2NO3 — CID 170872496

IUPAC3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid
SMILESNC(CC(=O)O)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C10H10ClF2NO3/c11-5-1-2-8(17-10(12)13)6(3-5)7(14)4-9(15)16/h1-3,7,10H,4,14H2,(H,15,16)
InChIKeyUXVXBRWBASNXAW-UHFFFAOYSA-N
MW265.64 g/mol
LogP2.42
Rot. Bonds5

About 3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid

3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid (PubChem CID 170872496) has the molecular formula C10H10ClF2NO3 and a molecular weight of 265.64 g/mol. Its IUPAC name is 3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid
PubChem CID170872496
Molecular FormulaC10H10ClF2NO3
Molecular Weight265.64 g/mol
Exact Mass265.03
IUPAC Name3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid
SMILESNC(CC(=O)O)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C10H10ClF2NO3/c11-5-1-2-8(17-10(12)13)6(3-5)7(14)4-9(15)16/h1-3,7,10H,4,14H2,(H,15,16)
InChIKeyUXVXBRWBASNXAW-UHFFFAOYSA-N
XLogP2.42
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.64
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-[5-amino-2-(difluoromethoxy)phenyl]propanoic acid
CID 97035652
3-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoic acid
CID 21082339
3-amino-3-(5-chloro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117366506
3-amino-3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propanoic acid
CID 117464423
2-[(2-amino-2-oxoethyl)-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 107440793
3-amino-3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)propanoic acid
CID 117432171
(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 55270420
3-amino-3-[3,5-dichloro-2-(2,6-difluorobenzoyl)oxyphenyl]propanoic acid
CID 170872628
3-amino-3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117455854
4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid
CID 117456098
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
ethyl (3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2-fluoropropanoate
CID 171251378

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid?
The IUPAC name of 3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid (CID 170872496) is 3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid?
The canonical SMILES for 3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid is NC(CC(=O)O)c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid?
The InChIKey is UXVXBRWBASNXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO3/c11-5-1-2-8(17-10(12)13)6(3-5)7(14)4-9(15)16/h1-3,7,10H,4,14H2,(H,15,16).
What are the key properties of 3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid?
3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid has a molecular weight of 265.64 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid is sourced from PubChem (CID 170872496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).