(3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol

C9H12N2O2 — CID 134881976

IUPAC(3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol
SMILESNC(CO)/C(=N\O)c1ccccc1
InChIInChI=1S/C9H12N2O2/c10-8(6-12)9(11-13)7-4-2-1-3-5-7/h1-5,8,12-13H,6,10H2/b11-9-
InChIKeyQIINIXBNVCZNOH-LUAWRHEFSA-N
MW180.21 g/mol
LogP0.18
Rot. Bonds3

About (3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol

(3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol (PubChem CID 134881976) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol
PubChem CID134881976
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol
SMILESNC(CO)/C(=N\O)c1ccccc1
InChIInChI=1S/C9H12N2O2/c10-8(6-12)9(11-13)7-4-2-1-3-5-7/h1-5,8,12-13H,6,10H2/b11-9-
InChIKeyQIINIXBNVCZNOH-LUAWRHEFSA-N
XLogP0.18
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

phenylalaninol, (S)-
CID 447213
phenylalaninol, (R)-
CID 853475
DL-Phenylalaninol
CID 76652
(2S)-2-amino-3-phenylpropane-1,1-diol
CID 445494
3(S)-Amino-4-phenyl-butan-2(S)-OL
CID 13949633
2-Amino-3-(4-fluorophenyl)propan-1-ol
CID 3048998
Fluvoxamino acid
CID 46781165
Desmethylfluvoxamine
CID 71433886
2-Amino-3-(3-fluorophenyl)propan-1-ol
CID 3048997
(R)-2-Amino-3-(3-fluorophenyl)propan-1-ol
CID 54536952
2-amino-2-[2-[4-[(E)-C-heptyl-N-hydroxycarbonimidoyl]phenyl]ethyl]propane-1,3-diol
CID 10830706
p-Boronophenylalaninol
CID 11694078

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol?
The IUPAC name of (3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol (CID 134881976) is (3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol.
What is the SMILES notation for (3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol?
The canonical SMILES for (3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol is NC(CO)/C(=N\O)c1ccccc1.
What is the InChIKey of (3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol?
The InChIKey is QIINIXBNVCZNOH-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-8(6-12)9(11-13)7-4-2-1-3-5-7/h1-5,8,12-13H,6,10H2/b11-9-.
What are the key properties of (3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol?
(3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol has a molecular weight of 180.21 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-amino-3-hydroxyimino-3-phenylpropan-1-ol is sourced from PubChem (CID 134881976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).