(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid

C10H11NO3 — CID 135440080

IUPAC(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
SMILESC[C@H](/N=C/c1ccccc1O)C(=O)O
InChIInChI=1S/C10H11NO3/c1-7(10(13)14)11-6-8-4-2-3-5-9(8)12/h2-7,12H,1H3,(H,13,14)/b11-6+/t7-/m0/s1
InChIKeyIAXKPCNASAJLRO-KEXZDQNZSA-N
MW193.20 g/mol
LogP1.28
Rot. Bonds3

About (2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid

(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid (PubChem CID 135440080) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
PubChem CID135440080
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
SMILESC[C@H](/N=C/c1ccccc1O)C(=O)O
InChIInChI=1S/C10H11NO3/c1-7(10(13)14)11-6-8-4-2-3-5-9(8)12/h2-7,12H,1H3,(H,13,14)/b11-6+/t7-/m0/s1
InChIKeyIAXKPCNASAJLRO-KEXZDQNZSA-N
XLogP1.28
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminophenyl)methylideneamino]propanoic acid
CID 170755961
methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate
CID 135433741
(2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid
CID 136916103
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-methylpentanoic acid
CID 135753857
3-[[1-carboxy-1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]disulfanyl]-2-[(2-hydroxyphenyl)methylideneamino]-3-methylbutanoic acid
CID 136754335
(2S)-2-[[3-[[(1S)-1-carboxyethyl]iminomethyl]-2-hydroxy-5-methylphenyl]methylideneamino]propanoic acid
CID 136861684
2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
CID 154704907
copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
CID 137349128
2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol
CID 137105568
2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide
CID 139130185
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
(2S)-2-[(2-formylphenyl)methylideneamino]-3-methylbutanoic acid
CID 138964075

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid?
The IUPAC name of (2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid (CID 135440080) is (2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid is C[C@H](/N=C/c1ccccc1O)C(=O)O.
What is the InChIKey of (2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid?
The InChIKey is IAXKPCNASAJLRO-KEXZDQNZSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(10(13)14)11-6-8-4-2-3-5-9(8)12/h2-7,12H,1H3,(H,13,14)/b11-6+/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid?
(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid is sourced from PubChem (CID 135440080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).