N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide

C16H17N3O3 — CID 138058901

IUPACN-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)N(N)C(=O)c1ccccc1
InChIInChI=1S/C16H17N3O3/c17-14(10-11-6-8-13(20)9-7-11)16(22)19(18)15(21)12-4-2-1-3-5-12/h1-9,14,20H,10,17-18H2/t14-/m0/s1
InChIKeyDRDPBRDQRHUGDB-AWEZNQCLSA-N
MW299.33 g/mol
LogP0.80
Rot. Bonds4

About N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide

N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide (PubChem CID 138058901) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide
PubChem CID138058901
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)N(N)C(=O)c1ccccc1
InChIInChI=1S/C16H17N3O3/c17-14(10-11-6-8-13(20)9-7-11)16(22)19(18)15(21)12-4-2-1-3-5-12/h1-9,14,20H,10,17-18H2/t14-/m0/s1
InChIKeyDRDPBRDQRHUGDB-AWEZNQCLSA-N
XLogP0.80
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
L-Tyrosine (disodium)
CID 66602062
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
CID 18402054
disodium;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 170924153
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-phenylpropanamide
CID 67854900
2-aminoacetic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 66894742

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide?
The IUPAC name of N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide (CID 138058901) is N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide.
What is the SMILES notation for N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide?
The canonical SMILES for N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide is N[C@@H](Cc1ccc(O)cc1)C(=O)N(N)C(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide?
The InChIKey is DRDPBRDQRHUGDB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O3/c17-14(10-11-6-8-13(20)9-7-11)16(22)19(18)15(21)12-4-2-1-3-5-12/h1-9,14,20H,10,17-18H2/t14-/m0/s1.
What are the key properties of N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide?
N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide has a molecular weight of 299.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]benzohydrazide is sourced from PubChem (CID 138058901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).