3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid

C21H25NO4 — CID 123848169

IUPAC3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid
SMILESCCC(C(CCc1ccccc1)C(=O)O)N(C=O)OCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-2-20(22(16-23)26-15-18-11-7-4-8-12-18)19(21(24)25)14-13-17-9-5-3-6-10-17/h3-12,16,19-20H,2,13-15H2,1H3,(H,24,25)
InChIKeySXJQGMYDTXFUQR-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.69
Rot. Bonds11

About 3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid

3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid (PubChem CID 123848169) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid.

Molecular Properties

Compound Name3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid
PubChem CID123848169
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid
SMILESCCC(C(CCc1ccccc1)C(=O)O)N(C=O)OCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-2-20(22(16-23)26-15-18-11-7-4-8-12-18)19(21(24)25)14-13-17-9-5-3-6-10-17/h3-12,16,19-20H,2,13-15H2,1H3,(H,24,25)
InChIKeySXJQGMYDTXFUQR-UHFFFAOYSA-N
XLogP3.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic 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

[[(2R)-2-[(1R)-1-[formyl(phenylmethoxy)amino]propyl]heptanoyl]amino]methylcarbamic acid
CID 122699028
(2S)-2-[formyl(phenylmethoxy)amino]-3-methylbutanoic acid
CID 174326736
2-benzyl-3-[formyl(phenylmethoxy)amino]propanoic acid;2-benzyl-4-phenylbutanoic acid;nitroxyl
CID 167543833
4-[4-[[2-[1-[formyl(phenylmethoxy)amino]propyl]heptanoylamino]methylcarbamoyl]cyclopenta-1,3-dien-1-yl]benzoic acid
CID 144883826
ethyl 5-ethoxy-3-[5-[[[(2R,3R)-3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoyl]amino]methylcarbamoyl]furan-2-yl]-2-hydroxybenzoate
CID 118225891
2-(4-phenylbutan-2-ylamino)butanoic acid
CID 64669361
(2S,3S)-2-amino-3-(2-phenylethyl)butanedioic acid
CID 11218609
(2S)-2-amino-3-(2-phenylethyl)butanedioic acid
CID 58900334
N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide
CID 118442063
(4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 97050480
2-[4-[5-[[[(2R)-2-[(1R)-1-[formyl(phenylmethoxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]phenyl]acetic acid
CID 122698937
[2-[1-[formyl-[[hydroxy(phenylmethoxy)phosphoryl]oxymethoxy]amino]propyl]heptanoylamino]methylcarbamic acid
CID 137361363

Frequently Asked Questions

What is the IUPAC name of 3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid?
The IUPAC name of 3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid (CID 123848169) is 3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid.
What is the SMILES notation for 3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid?
The canonical SMILES for 3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid is CCC(C(CCc1ccccc1)C(=O)O)N(C=O)OCc1ccccc1.
What is the InChIKey of 3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid?
The InChIKey is SXJQGMYDTXFUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-2-20(22(16-23)26-15-18-11-7-4-8-12-18)19(21(24)25)14-13-17-9-5-3-6-10-17/h3-12,16,19-20H,2,13-15H2,1H3,(H,24,25).
What are the key properties of 3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid?
3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid has a molecular weight of 355.43 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid is sourced from PubChem (CID 123848169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).