propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate

C19H23N3O3 — CID 26069709

IUPACpropan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate
SMILESCc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C19H23N3O3/c1-12(2)25-18(23)9-16(15-7-5-13(3)6-8-15)22-19(24)17-11-20-14(4)10-21-17/h5-8,10-12,16H,9H2,1-4H3,(H,22,24)/t16-/m0/s1
InChIKeyPVPZVOLYSSMDCH-INIZCTEOSA-N
MW341.41 g/mol
LogP2.91
Rot. Bonds6

About propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate

propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate (PubChem CID 26069709) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate
PubChem CID26069709
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namepropan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate
SMILESCc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C19H23N3O3/c1-12(2)25-18(23)9-16(15-7-5-13(3)6-8-15)22-19(24)17-11-20-14(4)10-21-17/h5-8,10-12,16H,9H2,1-4H3,(H,22,24)/t16-/m0/s1
InChIKeyPVPZVOLYSSMDCH-INIZCTEOSA-N
XLogP2.91
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774886
5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 47161122
propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699
methyl (3S)-3-(4-methylphenyl)-3-[(6-methylpyridine-3-carbonyl)amino]propanoate
CID 31118479
N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide
CID 26177836
(3R)-3-(3,4-dimethoxyphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774883
N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 46820307
propan-2-yl 3-(4-methylphenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate
CID 46411380
propan-2-yl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoate
CID 55678292
propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 26974136
propan-2-yl 3-(4-methylphenyl)-3-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]propanoate
CID 46637785
propan-2-yl 3-(4-methylphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate
CID 46429434

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate?
The IUPAC name of propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate (CID 26069709) is propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate.
What is the SMILES notation for propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate?
The canonical SMILES for propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate is Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2cnc(C)cn2)cc1.
What is the InChIKey of propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate?
The InChIKey is PVPZVOLYSSMDCH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12(2)25-18(23)9-16(15-7-5-13(3)6-8-15)22-19(24)17-11-20-14(4)10-21-17/h5-8,10-12,16H,9H2,1-4H3,(H,22,24)/t16-/m0/s1.
What are the key properties of propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate?
propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate has a molecular weight of 341.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3S)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 26069709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).