(2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid

C10H10ClNO3 — CID 136916103

IUPAC(2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid
SMILESC[C@H](/N=C/c1cc(Cl)ccc1O)C(=O)O
InChIInChI=1S/C10H10ClNO3/c1-6(10(14)15)12-5-7-4-8(11)2-3-9(7)13/h2-6,13H,1H3,(H,14,15)/b12-5+/t6-/m0/s1
InChIKeyISYLGNPFJBRFSR-XDZJJNIASA-N
MW227.65 g/mol
LogP1.94
Rot. Bonds3

About (2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid

(2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid (PubChem CID 136916103) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid
PubChem CID136916103
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name(2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid
SMILESC[C@H](/N=C/c1cc(Cl)ccc1O)C(=O)O
InChIInChI=1S/C10H10ClNO3/c1-6(10(14)15)12-5-7-4-8(11)2-3-9(7)13/h2-6,13H,1H3,(H,14,15)/b12-5+/t6-/m0/s1
InChIKeyISYLGNPFJBRFSR-XDZJJNIASA-N
XLogP1.94
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.94
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

(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 135440080
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
(2S)-2-[[3-[[(1S)-1-carboxyethyl]iminomethyl]-2-hydroxy-5-methylphenyl]methylideneamino]propanoic acid
CID 136861684
2-[[(E)-3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]amino]propanoic acid
CID 135145201
2-[[(2S)-1,1-bis(3,5-ditert-butylphenyl)-1-hydroxypropan-2-yl]iminomethyl]-4-chlorophenol
CID 136722734
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid
CID 22236669
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid
CID 961431
4-chloro-2-[[(2S)-1-(4-nitroanilino)propan-2-yl]iminomethyl]phenol
CID 135764276
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 135821297
4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol
CID 145079806
(2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136851943

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid?
The IUPAC name of (2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid (CID 136916103) is (2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid?
The canonical SMILES for (2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid is C[C@H](/N=C/c1cc(Cl)ccc1O)C(=O)O.
What is the InChIKey of (2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid?
The InChIKey is ISYLGNPFJBRFSR-XDZJJNIASA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-6(10(14)15)12-5-7-4-8(11)2-3-9(7)13/h2-6,13H,1H3,(H,14,15)/b12-5+/t6-/m0/s1.
What are the key properties of (2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid?
(2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid has a molecular weight of 227.65 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid is sourced from PubChem (CID 136916103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).