methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate

C13H19N3O3 — CID 95294721

IUPACmethyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
SMILESCOC(=O)[C@H](C)N(C)CC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C13H19N3O3/c1-9-5-6-14-11(7-9)15-12(17)8-16(3)10(2)13(18)19-4/h5-7,10H,8H2,1-4H3,(H,14,15,17)/t10-/m0/s1
InChIKeyHMPMMAZYHDBKII-JTQLQIEISA-N
MW265.31 g/mol
LogP0.82
Rot. Bonds5

About methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate

methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate (PubChem CID 95294721) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
PubChem CID95294721
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
SMILESCOC(=O)[C@H](C)N(C)CC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C13H19N3O3/c1-9-5-6-14-11(7-9)15-12(17)8-16(3)10(2)13(18)19-4/h5-7,10H,8H2,1-4H3,(H,14,15,17)/t10-/m0/s1
InChIKeyHMPMMAZYHDBKII-JTQLQIEISA-N
XLogP0.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 51075766
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 47351627
3-amino-N-(4-methyl-2-pyridinyl)butanamide
CID 83618224
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902
N,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 155944690
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 61148599
2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 76892276
2-ethyl-N-(4-methyl-2-pyridinyl)butanamide
CID 849589
N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 166182865
2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide
CID 71847661
2-[(5-bromo-2-pyridinyl)-methylamino]-N-(4-methyl-2-pyridinyl)acetamide
CID 71975683

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate (CID 95294721) is methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate is COC(=O)[C@H](C)N(C)CC(=O)Nc1cc(C)ccn1.
What is the InChIKey of methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate?
The InChIKey is HMPMMAZYHDBKII-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-5-6-14-11(7-9)15-12(17)8-16(3)10(2)13(18)19-4/h5-7,10H,8H2,1-4H3,(H,14,15,17)/t10-/m0/s1.
What are the key properties of methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate?
methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate has a molecular weight of 265.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 95294721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).