[2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid

C9H13N2O6P — CID 59082954

IUPAC[2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid
SMILESCP(=O)(O)CC(=O)NCN(O)C(=O)c1ccco1
InChIInChI=1S/C9H13N2O6P/c1-18(15,16)5-8(12)10-6-11(14)9(13)7-3-2-4-17-7/h2-4,14H,5-6H2,1H3,(H,10,12)(H,15,16)
InChIKeyZTVFDOMHJWAQJD-UHFFFAOYSA-N
MW276.18 g/mol
LogP0.08
Rot. Bonds5

About [2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid

[2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid (PubChem CID 59082954) has the molecular formula C9H13N2O6P and a molecular weight of 276.18 g/mol. Its IUPAC name is [2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid.

Molecular Properties

Compound Name[2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid
PubChem CID59082954
Molecular FormulaC9H13N2O6P
Molecular Weight276.18 g/mol
Exact Mass276.05
IUPAC Name[2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid
SMILESCP(=O)(O)CC(=O)NCN(O)C(=O)c1ccco1
InChIInChI=1S/C9H13N2O6P/c1-18(15,16)5-8(12)10-6-11(14)9(13)7-3-2-4-17-7/h2-4,14H,5-6H2,1H3,(H,10,12)(H,15,16)
InChIKeyZTVFDOMHJWAQJD-UHFFFAOYSA-N
XLogP0.08
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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

N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide
CID 175567055
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
3-(furan-2-yl)but-3-enoic acid
CID 117268805
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
N-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 43390516
N-methyl-N-[8-(methylamino)octyl]furan-2-carboxamide
CID 14423358
N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
CID 4781667
furan-2-carbonyl(methyl)carbamic acid;hydrochloride
CID 70634147
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438

Frequently Asked Questions

What is the IUPAC name of [2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid?
The IUPAC name of [2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid (CID 59082954) is [2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid.
What is the SMILES notation for [2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid?
The canonical SMILES for [2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid is CP(=O)(O)CC(=O)NCN(O)C(=O)c1ccco1.
What is the InChIKey of [2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid?
The InChIKey is ZTVFDOMHJWAQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O6P/c1-18(15,16)5-8(12)10-6-11(14)9(13)7-3-2-4-17-7/h2-4,14H,5-6H2,1H3,(H,10,12)(H,15,16).
What are the key properties of [2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid?
[2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid has a molecular weight of 276.18 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid is sourced from PubChem (CID 59082954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).