(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid

C16H19N3O3 — CID 122049534

IUPAC(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid
SMILESCOCc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C16H19N3O3/c1-11-8-14(19-15(17-11)10-22-2)18-13(16(20)21)9-12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3,(H,20,21)(H,17,18,19)/t13-/m0/s1
InChIKeyGNCRHQFKWGHNHV-ZDUSSCGKSA-N
MW301.35 g/mol
LogP2.04
Rot. Bonds7

About (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid

(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid (PubChem CID 122049534) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid
PubChem CID122049534
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid
SMILESCOCc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C16H19N3O3/c1-11-8-14(19-15(17-11)10-22-2)18-13(16(20)21)9-12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3,(H,20,21)(H,17,18,19)/t13-/m0/s1
InChIKeyGNCRHQFKWGHNHV-ZDUSSCGKSA-N
XLogP2.04
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-phenylpropanoic acid
CID 122049525
N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133416862
2-[[4,6-bis[(1-carboxy-2-phenylethyl)amino]-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 90051144
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
ethane;2-[[4-(methoxymethyl)phenyl]methoxycarbonylamino]-3-phenylpropanoic acid
CID 90811046
(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 50977879
2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid
CID 22693097
[4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol
CID 133434753
N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133417857
(2S)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,6-dimethoxyanilino]-3-phenylpropanoic acid
CID 70073946
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133475431

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid (CID 122049534) is (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid is COCc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)O)n1.
What is the InChIKey of (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid?
The InChIKey is GNCRHQFKWGHNHV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-8-14(19-15(17-11)10-22-2)18-13(16(20)21)9-12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3,(H,20,21)(H,17,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid?
(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 122049534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).