(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide

C15H17N3O2 — CID 61148298

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccncc1
InChIInChI=1S/C15H17N3O2/c16-14(9-11-1-3-13(19)4-2-11)15(20)18-10-12-5-7-17-8-6-12/h1-8,14,19H,9-10,16H2,(H,18,20)/t14-/m0/s1
InChIKeyASVZWVYUFAPAOB-AWEZNQCLSA-N
MW271.32 g/mol
LogP0.97
Rot. Bonds5

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 61148298) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID61148298
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccncc1
InChIInChI=1S/C15H17N3O2/c16-14(9-11-1-3-13(19)4-2-11)15(20)18-10-12-5-7-17-8-6-12/h1-8,14,19H,9-10,16H2,(H,18,20)/t14-/m0/s1
InChIKeyASVZWVYUFAPAOB-AWEZNQCLSA-N
XLogP0.97
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 104904605
2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 76892661
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 61148036
2-amino-3-(4-hydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 175450549
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 104905125
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-5-ylmethyl)propanamide
CID 104905604
2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 77020366
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-3-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]propanoic acid
CID 146352515
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide (CID 61148298) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide is N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccncc1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is ASVZWVYUFAPAOB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-14(9-11-1-3-13(19)4-2-11)15(20)18-10-12-5-7-17-8-6-12/h1-8,14,19H,9-10,16H2,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 271.32 g/mol, XLogP of 0.97, 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-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 61148298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).