[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate

C19H22N2O5 — CID 7772605

IUPAC[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
SMILESCC[C@@H](C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C19H22N2O5/c1-3-13(2)17(14-8-5-4-6-9-14)19(24)26-12-16(22)20-21-18(23)15-10-7-11-25-15/h4-11,13,17H,3,12H2,1-2H3,(H,20,22)(H,21,23)/t13-,17-/m1/s1
InChIKeyJOJIPNNLELIFOB-CXAGYDPISA-N
MW358.39 g/mol
LogP2.41
Rot. Bonds7

About [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate (PubChem CID 7772605) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate.

Molecular Properties

Compound Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
PubChem CID7772605
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
SMILESCC[C@@H](C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C19H22N2O5/c1-3-13(2)17(14-8-5-4-6-9-14)19(24)26-12-16(22)20-21-18(23)15-10-7-11-25-15/h4-11,13,17H,3,12H2,1-2H3,(H,20,22)(H,21,23)/t13-,17-/m1/s1
InChIKeyJOJIPNNLELIFOB-CXAGYDPISA-N
XLogP2.41
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772337
[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772578
[2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772689
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772303
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132070
[2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772957
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772763
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772104
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193351
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 7811362
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 7880281
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983687

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The IUPAC name of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate (CID 7772605) is [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate.
What is the SMILES notation for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The canonical SMILES for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate is CC[C@@H](C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The InChIKey is JOJIPNNLELIFOB-CXAGYDPISA-N. The full InChI is InChI=1S/C19H22N2O5/c1-3-13(2)17(14-8-5-4-6-9-14)19(24)26-12-16(22)20-21-18(23)15-10-7-11-25-15/h4-11,13,17H,3,12H2,1-2H3,(H,20,22)(H,21,23)/t13-,17-/m1/s1.
What are the key properties of [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate has a molecular weight of 358.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate is sourced from PubChem (CID 7772605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).