methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate

C15H28N2O5 — CID 22088707

IUPACmethyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)CCCCCNC(=O)OC
InChIInChI=1S/C15H28N2O5/c1-21-14(19)10-6-4-7-11-16-13(18)9-5-3-8-12-17-15(20)22-2/h3-12H2,1-2H3,(H,16,18)(H,17,20)
InChIKeySAXRTDYQQUVRLB-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.75
Rot. Bonds12

About methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate

methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate (PubChem CID 22088707) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate
PubChem CID22088707
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Namemethyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)CCCCCNC(=O)OC
InChIInChI=1S/C15H28N2O5/c1-21-14(19)10-6-4-7-11-16-13(18)9-5-3-8-12-17-15(20)22-2/h3-12H2,1-2H3,(H,16,18)(H,17,20)
InChIKeySAXRTDYQQUVRLB-UHFFFAOYSA-N
XLogP1.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methane;methyl 6-(methoxycarbonylamino)hexanoate;methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate;hydroiodide
CID 158570553
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-6-oxohexanoate
CID 164886523
methyl 10-(octadecanoylamino)decanoate
CID 54073329
methyl 5-(octadecanoylamino)pentanoate
CID 155660844
methyl 6-(nonanoylamino)hexanoate
CID 43423430
methyl 4-(tridecanoylamino)butanoate
CID 101398455
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate
CID 108808749
methyl 5-(4-methoxybutylamino)-5-oxopentanoate
CID 87688310
ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate
CID 91705286
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932

Frequently Asked Questions

What is the IUPAC name of methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate?
The IUPAC name of methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate (CID 22088707) is methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate.
What is the SMILES notation for methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate?
The canonical SMILES for methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate is COC(=O)CCCCCNC(=O)CCCCCNC(=O)OC.
What is the InChIKey of methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate?
The InChIKey is SAXRTDYQQUVRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-21-14(19)10-6-4-7-11-16-13(18)9-5-3-8-12-17-15(20)22-2/h3-12H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate?
methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate has a molecular weight of 316.40 g/mol, XLogP of 1.75, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate is sourced from PubChem (CID 22088707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).