2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid

C19H23N3O3 — CID 120701441

IUPAC2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid
SMILESCc1ncc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c(C(C)C)n1
InChIInChI=1S/C19H23N3O3/c1-12(2)16-15(10-20-13(3)22-16)17(23)21-11-19(4,18(24)25)14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,21,23)(H,24,25)
InChIKeyMCQDSPAKTKLIRQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.68
Rot. Bonds6

About 2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid

2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 120701441) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID120701441
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid
SMILESCc1ncc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c(C(C)C)n1
InChIInChI=1S/C19H23N3O3/c1-12(2)16-15(10-20-13(3)22-16)17(23)21-11-19(4,18(24)25)14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,21,23)(H,24,25)
InChIKeyMCQDSPAKTKLIRQ-UHFFFAOYSA-N
XLogP2.68
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701052
5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120687786
2-methyl-3-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-2-phenylpropanoic acid
CID 120701224
2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid
CID 154867048
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 120701444
2-[3-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]phenoxy]acetic acid
CID 120687818
3-(2-hydroxyphenyl)-2-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]propanoic acid
CID 138048370
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
CID 166207086
2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120700865
N,2-dimethyl-N-[(1S)-1-phenylethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 99801523

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid (CID 120701441) is 2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid is Cc1ncc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c(C(C)C)n1.
What is the InChIKey of 2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is MCQDSPAKTKLIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12(2)16-15(10-20-13(3)22-16)17(23)21-11-19(4,18(24)25)14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,21,23)(H,24,25).
What are the key properties of 2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid?
2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 120701441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).