(2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide

C16H19N3O2 — CID 142480000

IUPAC(2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide
SMILESNc1ccc(-c2ccc(CNC(=O)[C@H](N)CO)cc2)cc1
InChIInChI=1S/C16H19N3O2/c17-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-19-16(21)15(18)10-20/h1-8,15,20H,9-10,17-18H2,(H,19,21)/t15-/m1/s1
InChIKeyMKNSOQSJQIEMNU-OAHLLOKOSA-N
MW285.35 g/mol
LogP0.87
Rot. Bonds5

About (2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide

(2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide (PubChem CID 142480000) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide
PubChem CID142480000
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide
SMILESNc1ccc(-c2ccc(CNC(=O)[C@H](N)CO)cc2)cc1
InChIInChI=1S/C16H19N3O2/c17-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-19-16(21)15(18)10-20/h1-8,15,20H,9-10,17-18H2,(H,19,21)/t15-/m1/s1
InChIKeyMKNSOQSJQIEMNU-OAHLLOKOSA-N
XLogP0.87
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[(4-aminophenyl)methyl]-4-methylsulfanylbutanamide
CID 23598003
2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 115179814
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
2-amino-3-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180033
2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115179889
N-[(4-aminophenyl)methyl]-2-methylpentanamide
CID 60891259
(2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride
CID 142480144
2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide
CID 70925766
2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide
CID 114332131
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide?
The IUPAC name of (2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide (CID 142480000) is (2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide.
What is the SMILES notation for (2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide?
The canonical SMILES for (2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide is Nc1ccc(-c2ccc(CNC(=O)[C@H](N)CO)cc2)cc1.
What is the InChIKey of (2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide?
The InChIKey is MKNSOQSJQIEMNU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-19-16(21)15(18)10-20/h1-8,15,20H,9-10,17-18H2,(H,19,21)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide?
(2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide has a molecular weight of 285.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide is sourced from PubChem (CID 142480000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).