methyl 6-(methoxycarbonylamino)hexanoate

C9H17NO4 — CID 11356158

IUPACmethyl 6-(methoxycarbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)OC
InChIInChI=1S/C9H17NO4/c1-13-8(11)6-4-3-5-7-10-9(12)14-2/h3-7H2,1-2H3,(H,10,12)
InChIKeyODODYBZYJPWVIY-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.08
Rot. Bonds6

About methyl 6-(methoxycarbonylamino)hexanoate

methyl 6-(methoxycarbonylamino)hexanoate (PubChem CID 11356158) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 6-(methoxycarbonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(methoxycarbonylamino)hexanoate
PubChem CID11356158
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl 6-(methoxycarbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)OC
InChIInChI=1S/C9H17NO4/c1-13-8(11)6-4-3-5-7-10-9(12)14-2/h3-7H2,1-2H3,(H,10,12)
InChIKeyODODYBZYJPWVIY-UHFFFAOYSA-N
XLogP1.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Zinc acexamate
CID 155354
6-(6-Azaniumylhexanamido)hexanoate
CID 5245705
6-((tert-Butoxycarbonyl)amino)hexanoic acid
CID 637602
Hexanoic acid, 6-(acetylamino)-, ethyl ester
CID 15881002
6-Aminocaproic acid, N-ethoxycarbonyl-, dodecyl ester
CID 44410219
Ethyl 6-(methylamino)hexanoate hydrochloride
CID 87871170
N-(6-Aminohexanoyl)-6-aminohexanoate
CID 5460073
Sodium acexamate
CID 23665999
Dodecyl 6-[(6-dodecoxy-6-oxohexoxy)carbonylamino]hexanoate
CID 44410060
Dodecyl 6-(dodecoxycarbonylamino)hexanoate
CID 44410220
Dodecyl 6-(octoxycarbonylamino)hexanoate
CID 44410230
Dodecyl 6-(decoxycarbonylamino)hexanoate
CID 44410235

Frequently Asked Questions

What is the IUPAC name of methyl 6-(methoxycarbonylamino)hexanoate?
The IUPAC name of methyl 6-(methoxycarbonylamino)hexanoate (CID 11356158) is methyl 6-(methoxycarbonylamino)hexanoate.
What is the SMILES notation for methyl 6-(methoxycarbonylamino)hexanoate?
The canonical SMILES for methyl 6-(methoxycarbonylamino)hexanoate is COC(=O)CCCCCNC(=O)OC.
What is the InChIKey of methyl 6-(methoxycarbonylamino)hexanoate?
The InChIKey is ODODYBZYJPWVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-13-8(11)6-4-3-5-7-10-9(12)14-2/h3-7H2,1-2H3,(H,10,12).
What are the key properties of methyl 6-(methoxycarbonylamino)hexanoate?
methyl 6-(methoxycarbonylamino)hexanoate has a molecular weight of 203.24 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methoxycarbonylamino)hexanoate is sourced from PubChem (CID 11356158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).