methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate

C16H23N3O5 — CID 166387014

IUPACmethyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate
SMILESCOC(=O)[C@H](NC(=O)CNC(=O)COCc1ccncc1)C(C)C
InChIInChI=1S/C16H23N3O5/c1-11(2)15(16(22)23-3)19-13(20)8-18-14(21)10-24-9-12-4-6-17-7-5-12/h4-7,11,15H,8-10H2,1-3H3,(H,18,21)(H,19,20)/t15-/m1/s1
InChIKeyXIVUKGAUILKIJT-OAHLLOKOSA-N
MW337.38 g/mol
LogP0.03
Rot. Bonds9

About methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate

methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate (PubChem CID 166387014) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate
PubChem CID166387014
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Namemethyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate
SMILESCOC(=O)[C@H](NC(=O)CNC(=O)COCc1ccncc1)C(C)C
InChIInChI=1S/C16H23N3O5/c1-11(2)15(16(22)23-3)19-13(20)8-18-14(21)10-24-9-12-4-6-17-7-5-12/h4-7,11,15H,8-10H2,1-3H3,(H,18,21)(H,19,20)/t15-/m1/s1
InChIKeyXIVUKGAUILKIJT-OAHLLOKOSA-N
XLogP0.03
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate with MolForge

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Related Compounds

methyl 3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoate
CID 60890946
methyl 2-(pyridin-4-ylmethoxy)propanoate
CID 83213951
pyridin-4-ylmethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 90470317
methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate
CID 126813614
propan-2-yl 2-(pyridin-4-ylmethoxy)acetate
CID 83213799
methyl 2-[[2-(4-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 43452000
methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 12675847
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylbutanoate
CID 16625987
methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
CID 103957951
methyl 3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoate
CID 22910259
methyl (2S)-2-[[2-[(2-indazol-1-ylacetyl)amino]acetyl]amino]-3-methylbutanoate
CID 24800202

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate?
The IUPAC name of methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate (CID 166387014) is methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate.
What is the SMILES notation for methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate?
The canonical SMILES for methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate is COC(=O)[C@H](NC(=O)CNC(=O)COCc1ccncc1)C(C)C.
What is the InChIKey of methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate?
The InChIKey is XIVUKGAUILKIJT-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-11(2)15(16(22)23-3)19-13(20)8-18-14(21)10-24-9-12-4-6-17-7-5-12/h4-7,11,15H,8-10H2,1-3H3,(H,18,21)(H,19,20)/t15-/m1/s1.
What are the key properties of methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate?
methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate has a molecular weight of 337.38 g/mol, XLogP of 0.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate is sourced from PubChem (CID 166387014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).