hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate

C15H24N2O3 — CID 141493620

IUPAChexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate
SMILESCCCCCCOC(=O)[C@H](Cc1ccc(O)cc1)NN
InChIInChI=1S/C15H24N2O3/c1-2-3-4-5-10-20-15(19)14(17-16)11-12-6-8-13(18)9-7-12/h6-9,14,17-18H,2-5,10-11,16H2,1H3/t14-/m0/s1
InChIKeyYTXQAYDOOKXDDV-AWEZNQCLSA-N
MW280.37 g/mol
LogP1.89
Rot. Bonds9

About hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate

hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate (PubChem CID 141493620) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namehexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate
PubChem CID141493620
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namehexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate
SMILESCCCCCCOC(=O)[C@H](Cc1ccc(O)cc1)NN
InChIInChI=1S/C15H24N2O3/c1-2-3-4-5-10-20-15(19)14(17-16)11-12-6-8-13(18)9-7-12/h6-9,14,17-18H,2-5,10-11,16H2,1H3/t14-/m0/s1
InChIKeyYTXQAYDOOKXDDV-AWEZNQCLSA-N
XLogP1.89
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl (2R)-2-acetamido-3-(4-hydroxyphenyl)propanoate
CID 6426993
hexyl (2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 56845477
docosyl 2-[3-(4-hydroxy-3,5-diiodophenyl)propanoylamino]-3-(4-hydroxyphenyl)propanoate
CID 58596401
butyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 101068161
butyl 2-(2-acetamidopropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 541920
(2S)-2-(hexylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 54571397
methyl (2R)-2-(butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate
CID 70253873
methyl (2R)-2-(butoxycarbonylamino)-3-(4-hydroxyphenyl)propaneperoxoate
CID 141436930
propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate
CID 14214037
methyl 2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 4502358
hexyl 2-benzamido-3-phenylpropanoate
CID 569464
nonyl 3-phenyl-2-(propoxycarbonylamino)propanoate
CID 6423362

Frequently Asked Questions

What is the IUPAC name of hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate (CID 141493620) is hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate is CCCCCCOC(=O)[C@H](Cc1ccc(O)cc1)NN.
What is the InChIKey of hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate?
The InChIKey is YTXQAYDOOKXDDV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-3-4-5-10-20-15(19)14(17-16)11-12-6-8-13(18)9-7-12/h6-9,14,17-18H,2-5,10-11,16H2,1H3/t14-/m0/s1.
What are the key properties of hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate?
hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate has a molecular weight of 280.37 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 141493620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).