methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate

C16H17N3O3 — CID 99803493

IUPACmethyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccnc(C)n1
InChIInChI=1S/C16H17N3O3/c1-11-17-9-8-13(18-11)15(20)19-14(16(21)22-2)10-12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyBCPAJAHKCWSMJJ-CQSZACIVSA-N
MW299.33 g/mol
LogP1.30
Rot. Bonds5

About methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate

methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate (PubChem CID 99803493) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate
PubChem CID99803493
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Namemethyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccnc(C)n1
InChIInChI=1S/C16H17N3O3/c1-11-17-9-8-13(18-11)15(20)19-14(16(21)22-2)10-12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyBCPAJAHKCWSMJJ-CQSZACIVSA-N
XLogP1.30
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate
CID 63050089
methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 139229794
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
anilino (2S)-2-[[6-[[(2S)-1-anilinooxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyridine-2-carbonyl]amino]-3-phenylpropanoate
CID 102149395
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131889440
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate
CID 20624106
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate (CID 99803493) is methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccnc(C)n1.
What is the InChIKey of methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is BCPAJAHKCWSMJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-17-9-8-13(18-11)15(20)19-14(16(21)22-2)10-12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate?
methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 299.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 99803493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).