[[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid

C12H19N2O5P — CID 142100389

IUPAC[[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid
SMILESCOc1ccc(CN(CC(=O)NO)CP(C)(=O)O)cc1
InChIInChI=1S/C12H19N2O5P/c1-19-11-5-3-10(4-6-11)7-14(8-12(15)13-16)9-20(2,17)18/h3-6,16H,7-9H2,1-2H3,(H,13,15)(H,17,18)
InChIKeySNYNEQLNXIADGX-UHFFFAOYSA-N
MW302.27 g/mol
LogP0.86
Rot. Bonds7

About [[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid

[[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid (PubChem CID 142100389) has the molecular formula C12H19N2O5P and a molecular weight of 302.27 g/mol. Its IUPAC name is [[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid.

Molecular Properties

Compound Name[[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid
PubChem CID142100389
Molecular FormulaC12H19N2O5P
Molecular Weight302.27 g/mol
Exact Mass302.10
IUPAC Name[[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid
SMILESCOc1ccc(CN(CC(=O)NO)CP(C)(=O)O)cc1
InChIInChI=1S/C12H19N2O5P/c1-19-11-5-3-10(4-6-11)7-14(8-12(15)13-16)9-20(2,17)18/h3-6,16H,7-9H2,1-2H3,(H,13,15)(H,17,18)
InChIKeySNYNEQLNXIADGX-UHFFFAOYSA-N
XLogP0.86
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide
CID 166776144
3-[(4-methoxyphenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 82330080
N-[[dimethylphosphorylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-hydroxy-2-phenylacetamide
CID 59082739
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60565339
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate
CID 101441426
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
1-[(4-methoxyphenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79396292
2-[(4-methoxyphenyl)methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]-N-(3-nitrophenyl)acetamide
CID 3933915
(4-methoxyphenyl)methoxy-methylphosphinic acid
CID 18801166

Frequently Asked Questions

What is the IUPAC name of [[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid?
The IUPAC name of [[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid (CID 142100389) is [[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid.
What is the SMILES notation for [[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid?
The canonical SMILES for [[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid is COc1ccc(CN(CC(=O)NO)CP(C)(=O)O)cc1.
What is the InChIKey of [[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid?
The InChIKey is SNYNEQLNXIADGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2O5P/c1-19-11-5-3-10(4-6-11)7-14(8-12(15)13-16)9-20(2,17)18/h3-6,16H,7-9H2,1-2H3,(H,13,15)(H,17,18).
What are the key properties of [[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid?
[[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid has a molecular weight of 302.27 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(hydroxyamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]amino]methyl-methylphosphinic acid is sourced from PubChem (CID 142100389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).