2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid

C15H21NO4 — CID 19367512

IUPAC2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CN(C=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-12(2)8-14(15(18)19)9-16(11-17)20-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,18,19)
InChIKeyQPGLCMWTVFXYEU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.32
Rot. Bonds9

About 2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid

2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid (PubChem CID 19367512) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid
PubChem CID19367512
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CN(C=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-12(2)8-14(15(18)19)9-16(11-17)20-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,18,19)
InChIKeyQPGLCMWTVFXYEU-UHFFFAOYSA-N
XLogP2.32
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.32
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'}

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Related Compounds

2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
CID 22256535
2-benzyl-3-[formyl(phenylmethoxy)amino]propanoic acid;2-benzyl-4-phenylbutanoic acid;nitroxyl
CID 167543833
N-[(2S)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4-methylpentyl]-N-phenylmethoxyformamide
CID 59840877
4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid
CID 21475226
(2,3,4,5,6-pentafluorophenyl) 2-[[formyl(phenylmethoxy)amino]methyl]hexanoate
CID 22096238
2-benzyl-4-methylpentanoic acid
CID 15416243
(2S)-2-[formyl(phenylmethoxy)amino]-3-methylbutanoic acid
CID 174326736
N-pentyl-N-phenylmethoxyformamide
CID 88956477
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 59902207
[4-[formyl(phenylmethoxy)amino]-2-methyl-1-phosphonobutyl]phosphonic acid
CID 90923448
2-[[benzoyloxy(formyl)amino]methyl]-3-phenylpropanoic acid
CID 142000336
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940

Frequently Asked Questions

What is the IUPAC name of 2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid (CID 19367512) is 2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid is CC(C)CC(CN(C=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of 2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid?
The InChIKey is QPGLCMWTVFXYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-12(2)8-14(15(18)19)9-16(11-17)20-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid?
2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 19367512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).