(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide

C15H15IN2O3 — CID 127256924

IUPAC(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide
SMILESNC(=O)[C@@H](N)Cc1ccc(Oc2ccc(O)cc2)c(I)c1
InChIInChI=1S/C15H15IN2O3/c16-12-7-9(8-13(17)15(18)20)1-6-14(12)21-11-4-2-10(19)3-5-11/h1-7,13,19H,8,17H2,(H2,18,20)/t13-/m0/s1
InChIKeyGXRVAIVCHJLOKS-ZDUSSCGKSA-N
MW398.20 g/mol
LogP2.14
Rot. Bonds5

About (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide

(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide (PubChem CID 127256924) has the molecular formula C15H15IN2O3 and a molecular weight of 398.20 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide
PubChem CID127256924
Molecular FormulaC15H15IN2O3
Molecular Weight398.20 g/mol
Exact Mass398.01
IUPAC Name(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide
SMILESNC(=O)[C@@H](N)Cc1ccc(Oc2ccc(O)cc2)c(I)c1
InChIInChI=1S/C15H15IN2O3/c16-12-7-9(8-13(17)15(18)20)1-6-14(12)21-11-4-2-10(19)3-5-11/h1-7,13,19H,8,17H2,(H2,18,20)/t13-/m0/s1
InChIKeyGXRVAIVCHJLOKS-ZDUSSCGKSA-N
XLogP2.14
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-azaniumyl-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanoate
CID 58185740
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
(2S)-2-amino-3-[4-(4-hydroxy-2-iodophenoxy)-2-iodophenyl]propanoic acid
CID 21116861
2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid;sulfuric acid
CID 22908655
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide
CID 102457343
iodo (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoate
CID 70463940
sodium (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoate
CID 69045050
(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide
CID 14274714
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
bis(2-amino-3-(4-hydroxyphenyl)propanamide);2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 67902185
4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride
CID 11689968

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide?
The IUPAC name of (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide (CID 127256924) is (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide is NC(=O)[C@@H](N)Cc1ccc(Oc2ccc(O)cc2)c(I)c1.
What is the InChIKey of (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide?
The InChIKey is GXRVAIVCHJLOKS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15IN2O3/c16-12-7-9(8-13(17)15(18)20)1-6-14(12)21-11-4-2-10(19)3-5-11/h1-7,13,19H,8,17H2,(H2,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide?
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide has a molecular weight of 398.20 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide is sourced from PubChem (CID 127256924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).