(2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid

C16H19N3O3 — CID 122050790

IUPAC(2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid
SMILESCC(C)[C@@H](Nc1nccc(OCc2ccccc2)n1)C(=O)O
InChIInChI=1S/C16H19N3O3/c1-11(2)14(15(20)21)19-16-17-9-8-13(18-16)22-10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,20,21)(H,17,18,19)/t14-/m1/s1
InChIKeyVOBLCNKRFGZTBQ-CQSZACIVSA-N
MW301.35 g/mol
LogP2.58
Rot. Bonds7

About (2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid

(2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid (PubChem CID 122050790) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid
PubChem CID122050790
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid
SMILESCC(C)[C@@H](Nc1nccc(OCc2ccccc2)n1)C(=O)O
InChIInChI=1S/C16H19N3O3/c1-11(2)14(15(20)21)19-16-17-9-8-13(18-16)22-10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,20,21)(H,17,18,19)/t14-/m1/s1
InChIKeyVOBLCNKRFGZTBQ-CQSZACIVSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic 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

2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide
CID 75433246
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutanoic acid
CID 122049707
4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid
CID 122060540
3-methyl-2-[(3-phenylmethoxyphenyl)methylamino]butanoic acid
CID 66527226
[[1-methoxy-1-oxo-6-[(4-phenylmethoxypyrimidin-2-yl)amino]hexan-2-yl]amino] benzoate
CID 177180750
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine
CID 133459100
3-methyl-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43354070
2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112635985
2-[(7-hydroxyisoquinolin-1-yl)amino]-3-methylbutanoic acid
CID 106536074
4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636105
4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine
CID 112637466

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid (CID 122050790) is (2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid is CC(C)[C@@H](Nc1nccc(OCc2ccccc2)n1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid?
The InChIKey is VOBLCNKRFGZTBQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(2)14(15(20)21)19-16-17-9-8-13(18-16)22-10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3,(H,20,21)(H,17,18,19)/t14-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid?
(2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid is sourced from PubChem (CID 122050790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).