(2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid

C19H19F2NO5 — CID 97233833

IUPAC(2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
SMILESCOCCOc1cccc(C(=O)N[C@](C)(C(=O)O)c2cc(F)ccc2F)c1
InChIInChI=1S/C19H19F2NO5/c1-19(18(24)25,15-11-13(20)6-7-16(15)21)22-17(23)12-4-3-5-14(10-12)27-9-8-26-2/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1
InChIKeyVOUUTQVJDSEQHW-IBGZPJMESA-N
MW379.36 g/mol
LogP2.72
Rot. Bonds8

About (2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid

(2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid (PubChem CID 97233833) has the molecular formula C19H19F2NO5 and a molecular weight of 379.36 g/mol. Its IUPAC name is (2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
PubChem CID97233833
Molecular FormulaC19H19F2NO5
Molecular Weight379.36 g/mol
Exact Mass379.12
IUPAC Name(2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
SMILESCOCCOc1cccc(C(=O)N[C@](C)(C(=O)O)c2cc(F)ccc2F)c1
InChIInChI=1S/C19H19F2NO5/c1-19(18(24)25,15-11-13(20)6-7-16(15)21)22-17(23)12-4-3-5-14(10-12)27-9-8-26-2/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1
InChIKeyVOUUTQVJDSEQHW-IBGZPJMESA-N
XLogP2.72
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249413
2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 87005454
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
3-[2-(2-tert-butylphenoxy)ethoxy]benzoic acid
CID 20992972
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
3-[2-(3-fluoroanilino)ethoxy]benzoic acid
CID 103234227
2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55135242
2-(2,5-difluorophenyl)-2-formamidopropanoic acid
CID 63687449
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
3-[3-(3-methoxypropylsulfanyl)propoxy]benzoic acid
CID 63857268
3-[2-(3-bromo-4-fluorophenoxy)ethoxy]benzoic acid
CID 83231309
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid (CID 97233833) is (2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid is COCCOc1cccc(C(=O)N[C@](C)(C(=O)O)c2cc(F)ccc2F)c1.
What is the InChIKey of (2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid?
The InChIKey is VOUUTQVJDSEQHW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19F2NO5/c1-19(18(24)25,15-11-13(20)6-7-16(15)21)22-17(23)12-4-3-5-14(10-12)27-9-8-26-2/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1.
What are the key properties of (2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid?
(2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid has a molecular weight of 379.36 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid is sourced from PubChem (CID 97233833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).