2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid

C17H23NO6 — CID 90945491

IUPAC2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid
SMILESCC(C)(C)ON(C=O)C(CCC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C17H23NO6/c1-17(2,3)24-18(12-19)14(16(21)22)9-10-15(20)23-11-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,21,22)
InChIKeyZXRLDNCNTHPMCF-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.15
Rot. Bonds9

About 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid

2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid (PubChem CID 90945491) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid.

Molecular Properties

Compound Name2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid
PubChem CID90945491
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid
SMILESCC(C)(C)ON(C=O)C(CCC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C17H23NO6/c1-17(2,3)24-18(12-19)14(16(21)22)9-10-15(20)23-11-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,21,22)
InChIKeyZXRLDNCNTHPMCF-UHFFFAOYSA-N
XLogP2.15
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid with MolForge

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Related Compounds

(2S)-2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-methoxy-5-oxopentanoic acid
CID 174690842
5-O-benzyl 1-O-tert-butyl (2S)-2-aminopentanedioate
CID 7022309
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 11101928
(4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 97050480
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
benzyl (4S)-4-fluoropentanoate
CID 162416936
5-O-benzyl 1-O-tert-butyl 2-(methylamino)pentanedioate
CID 18472196
(2S,3S)-2-amino-3-methyl-6-oxo-6-phenylmethoxyhexanoic acid
CID 70073990
8-O-benzyl 1-O-tert-butyl (2S)-2-aminooctanedioate
CID 163596511
(4S)-5-(benzenesulfonamido)-4-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxopentanoic acid
CID 89346673
benzyl 5-hydroxy-4-methylpentanoate
CID 70002041
1-O,1-O-dibenzyl 3-O-tert-butyl propane-1,1,3-tricarboxylate
CID 11315892

Frequently Asked Questions

What is the IUPAC name of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid?
The IUPAC name of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid (CID 90945491) is 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid.
What is the SMILES notation for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid?
The canonical SMILES for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid is CC(C)(C)ON(C=O)C(CCC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid?
The InChIKey is ZXRLDNCNTHPMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-17(2,3)24-18(12-19)14(16(21)22)9-10-15(20)23-11-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,21,22).
What are the key properties of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid?
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid has a molecular weight of 337.37 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid is sourced from PubChem (CID 90945491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).