(2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide

C16H19N3O4 — CID 56741172

IUPAC(2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
SMILESCOc1ccccc1Oc1ncccc1CNC(=O)[C@@H](N)CO
InChIInChI=1S/C16H19N3O4/c1-22-13-6-2-3-7-14(13)23-16-11(5-4-8-18-16)9-19-15(21)12(17)10-20/h2-8,12,20H,9-10,17H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyIWVGCBOPKZFEOZ-LBPRGKRZSA-N
MW317.35 g/mol
LogP0.82
Rot. Bonds7

About (2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide

(2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide (PubChem CID 56741172) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
PubChem CID56741172
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name(2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
SMILESCOc1ccccc1Oc1ncccc1CNC(=O)[C@@H](N)CO
InChIInChI=1S/C16H19N3O4/c1-22-13-6-2-3-7-14(13)23-16-11(5-4-8-18-16)9-19-15(21)12(17)10-20/h2-8,12,20H,9-10,17H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyIWVGCBOPKZFEOZ-LBPRGKRZSA-N
XLogP0.82
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 42198309
(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 95206608
(2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 95208041
(2S)-2-amino-3,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 119852317
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
CID 54927008
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
CID 60857697
(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 142480215
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 42291642
3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 120503036
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]furan-3-carboxamide
CID 26409085
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42515365
(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 79012949

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide (CID 56741172) is (2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide is COc1ccccc1Oc1ncccc1CNC(=O)[C@@H](N)CO.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide?
The InChIKey is IWVGCBOPKZFEOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-22-13-6-2-3-7-14(13)23-16-11(5-4-8-18-16)9-19-15(21)12(17)10-20/h2-8,12,20H,9-10,17H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide?
(2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide has a molecular weight of 317.35 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 56741172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).