(2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride

C11H18Cl2N2O3 — CID 131859895

IUPAC(2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride
SMILESCl.Cl.N[C@@H](CCCNc1cccc(O)c1)C(=O)O
InChIInChI=1S/C11H16N2O3.2ClH/c12-10(11(15)16)5-2-6-13-8-3-1-4-9(14)7-8;;/h1,3-4,7,10,13-14H,2,5-6,12H2,(H,15,16);2*1H/t10-;;/m0../s1
InChIKeySFMGLMHDAQCAKJ-XRIOVQLTSA-N
MW297.18 g/mol
LogP1.84
Rot. Bonds6

About (2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride

(2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride (PubChem CID 131859895) has the molecular formula C11H18Cl2N2O3 and a molecular weight of 297.18 g/mol. Its IUPAC name is (2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride
PubChem CID131859895
Molecular FormulaC11H18Cl2N2O3
Molecular Weight297.18 g/mol
Exact Mass296.07
IUPAC Name(2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride
SMILESCl.Cl.N[C@@H](CCCNc1cccc(O)c1)C(=O)O
InChIInChI=1S/C11H16N2O3.2ClH/c12-10(11(15)16)5-2-6-13-8-3-1-4-9(14)7-8;;/h1,3-4,7,10,13-14H,2,5-6,12H2,(H,15,16);2*1H/t10-;;/m0../s1
InChIKeySFMGLMHDAQCAKJ-XRIOVQLTSA-N
XLogP1.84
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
3-(3-phenylpropylamino)phenol
CID 28722963
2-anilinoacetic acid;2,5-diaminopentanoic acid
CID 90018517
benzene-1,3-dicarboxamide;2,6-diaminohexanoic acid
CID 77267129
benzene-1,3-dicarboxamide;(2S)-2,6-diaminohexanoic acid
CID 67324648
2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide
CID 114927368
3-(2-phenylethylamino)phenol
CID 28722392
2-(3-hydroxyanilino)acetohydrazide
CID 132888164
2-amino-3-(3-chloroanilino)propanoic acid
CID 103234190
3-[3-(diethylamino)propylamino]phenol
CID 83813650
2-amino-3-(3-methoxyanilino)propanoic acid
CID 103234775
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride?
The IUPAC name of (2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride (CID 131859895) is (2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride?
The canonical SMILES for (2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride is Cl.Cl.N[C@@H](CCCNc1cccc(O)c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride?
The InChIKey is SFMGLMHDAQCAKJ-XRIOVQLTSA-N. The full InChI is InChI=1S/C11H16N2O3.2ClH/c12-10(11(15)16)5-2-6-13-8-3-1-4-9(14)7-8;;/h1,3-4,7,10,13-14H,2,5-6,12H2,(H,15,16);2*1H/t10-;;/m0../s1.
What are the key properties of (2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride?
(2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride has a molecular weight of 297.18 g/mol, XLogP of 1.84, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(3-hydroxyanilino)pentanoic acid;dihydrochloride is sourced from PubChem (CID 131859895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).