methyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate

C14H25N3O6 — CID 123217426

IUPACmethyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate
SMILESCOC(=O)C1COCCCCOCC(N)C(=O)NC(C)C(=O)N1
InChIInChI=1S/C14H25N3O6/c1-9-12(18)17-11(14(20)21-2)8-23-6-4-3-5-22-7-10(15)13(19)16-9/h9-11H,3-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHNOHMBQSBAFVES-UHFFFAOYSA-N
MW331.37 g/mol
LogP-1.70
Rot. Bonds1

About methyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate

methyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate (PubChem CID 123217426) has the molecular formula C14H25N3O6 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate
PubChem CID123217426
Molecular FormulaC14H25N3O6
Molecular Weight331.37 g/mol
Exact Mass331.17
IUPAC Namemethyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate
SMILESCOC(=O)C1COCCCCOCC(N)C(=O)NC(C)C(=O)N1
InChIInChI=1S/C14H25N3O6/c1-9-12(18)17-11(14(20)21-2)8-23-6-4-3-5-22-7-10(15)13(19)16-9/h9-11H,3-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHNOHMBQSBAFVES-UHFFFAOYSA-N
XLogP-1.70
TPSA128.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate with MolForge

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Related Compounds

methyl (3S,6R,9S)-6-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-5,8-dioxo-1,11-dioxa-4-azacyclopentadecane-3-carboxylate
CID 147633108
methyl (4S,7S,10S)-10-[[(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-7-methyl-6,9-dioxo-1,12-dioxa-5,8-diazacyclohexadecane-4-carboxylate
CID 90165183
(3S,6S,9S,18S,21S)-9-amino-N,N,3-trimethyl-6-(2-methylpropyl)-2,5,8,20-tetraoxo-11,16-dioxa-1,4,7,19-tetrazabicyclo[19.3.0]tetracosane-18-carboxamide
CID 162673345
methyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 42614245
methyl (3R)-oxane-3-carboxylate
CID 86306897
methyl (2S,7E,10S)-10-[[(2S,7E,10S)-10-amino-2-methyl-3,11-dioxo-1,4-diazacycloundec-7-ene-5-carbonyl]amino]-2-(2-amino-2-oxoethyl)-3,11-dioxo-1,4-diazacycloundec-7-ene-5-carboxylate
CID 177430616
methyl (3S,6S,9S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-methyl-4,7-dioxo-1-oxa-5,8-diazacyclotetradecane-9-carboxylate
CID 90165266
methyl 5-methyl-2,4-dioxopyrrolidine-3-carboxylate
CID 126971567
methyl 5-cyclopentylmorpholine-3-carboxylate
CID 105466772
trans-methyl (4R,11R)-11-amino-7,7-dimethyl-6,10-dioxo-1,2-dithia-5,9-diazacyclododecane-4-carboxylate
CID 59963557
methyl (3S,4S)-4-aminooxane-3-carboxylate;hydrochloride
CID 86346362
methyl (9R,12S,15S)-15-amino-11,14-dioxo-12-propan-2-yl-2-oxa-7-thia-10,13-diazabicyclo[15.2.2]henicosa-1(19),17,20-triene-9-carboxylate
CID 66846961

Frequently Asked Questions

What is the IUPAC name of methyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate?
The IUPAC name of methyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate (CID 123217426) is methyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate.
What is the SMILES notation for methyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate?
The canonical SMILES for methyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate is COC(=O)C1COCCCCOCC(N)C(=O)NC(C)C(=O)N1.
What is the InChIKey of methyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate?
The InChIKey is HNOHMBQSBAFVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O6/c1-9-12(18)17-11(14(20)21-2)8-23-6-4-3-5-22-7-10(15)13(19)16-9/h9-11H,3-8,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of methyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate?
methyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate has a molecular weight of 331.37 g/mol, XLogP of -1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-amino-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecane-3-carboxylate is sourced from PubChem (CID 123217426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).