methyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate

C15H24N6O7 — CID 11795252

IUPACmethyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate
SMILESCOC(=O)Cn1nnnc1CC[C@H](NC(=O)CC[C@H](N)C(=O)OC)C(=O)OC
InChIInChI=1S/C15H24N6O7/c1-26-13(23)8-21-11(18-19-20-21)6-5-10(15(25)28-3)17-12(22)7-4-9(16)14(24)27-2/h9-10H,4-8,16H2,1-3H3,(H,17,22)/t9-,10-/m0/s1
InChIKeyWFCKLXWOMFIYKI-UWVGGRQHSA-N
MW400.39 g/mol
LogP-2.28
Rot. Bonds11

About methyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate

methyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate (PubChem CID 11795252) has the molecular formula C15H24N6O7 and a molecular weight of 400.39 g/mol. Its IUPAC name is methyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate
PubChem CID11795252
Molecular FormulaC15H24N6O7
Molecular Weight400.39 g/mol
Exact Mass400.17
IUPAC Namemethyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate
SMILESCOC(=O)Cn1nnnc1CC[C@H](NC(=O)CC[C@H](N)C(=O)OC)C(=O)OC
InChIInChI=1S/C15H24N6O7/c1-26-13(23)8-21-11(18-19-20-21)6-5-10(15(25)28-3)17-12(22)7-4-9(16)14(24)27-2/h9-10H,4-8,16H2,1-3H3,(H,17,22)/t9-,10-/m0/s1
InChIKeyWFCKLXWOMFIYKI-UWVGGRQHSA-N
XLogP-2.28
TPSA177.62 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.39
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate?
The IUPAC name of methyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate (CID 11795252) is methyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate.
What is the SMILES notation for methyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate?
The canonical SMILES for methyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate is COC(=O)Cn1nnnc1CC[C@H](NC(=O)CC[C@H](N)C(=O)OC)C(=O)OC.
What is the InChIKey of methyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate?
The InChIKey is WFCKLXWOMFIYKI-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H24N6O7/c1-26-13(23)8-21-11(18-19-20-21)6-5-10(15(25)28-3)17-12(22)7-4-9(16)14(24)27-2/h9-10H,4-8,16H2,1-3H3,(H,17,22)/t9-,10-/m0/s1.
What are the key properties of methyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate?
methyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate has a molecular weight of 400.39 g/mol, XLogP of -2.28, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-5-[[(2S)-1-methoxy-4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-1-oxobutan-2-yl]amino]-5-oxopentanoate is sourced from PubChem (CID 11795252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).