(2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate

C15H22N2O3 — CID 70810306

IUPAC(2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc([C@H](C)C(=O)OCC(=O)NN)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)8-12-4-6-13(7-5-12)11(3)15(19)20-9-14(18)17-16/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyIRNCPMDWRHELIQ-NSHDSACASA-N
MW278.35 g/mol
LogP1.52
Rot. Bonds6

About (2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate

(2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 70810306) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name(2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID70810306
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc([C@H](C)C(=O)OCC(=O)NN)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)8-12-4-6-13(7-5-12)11(3)15(19)20-9-14(18)17-16/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyIRNCPMDWRHELIQ-NSHDSACASA-N
XLogP1.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-sulfanylethyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 10445655
3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 116848740
3-hydroxybutyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 129318305
(2S)-2-amino-3-[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxypropanoic acid
CID 67493555
trimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]ethyl]azanium
CID 15219069
3-bromopropyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 11727156
(5S)-5-[4-(2-methylpropyl)phenyl]hexane-2,4-dione
CID 69060435
but-3-enyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 175830731
octyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 15274994
[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] 2-[4-(2-methylpropyl)phenyl]propanoate;[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-[4-(2-methylpropyl)phenyl]propanoate
CID 169442364

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of (2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate (CID 70810306) is (2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for (2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for (2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate is CC(C)Cc1ccc([C@H](C)C(=O)OCC(=O)NN)cc1.
What is the InChIKey of (2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is IRNCPMDWRHELIQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)8-12-4-6-13(7-5-12)11(3)15(19)20-9-14(18)17-16/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate?
(2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 278.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 70810306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).