methyl 7-amino-6-oxoheptanoate

C8H15NO3 — CID 86034752

IUPACmethyl 7-amino-6-oxoheptanoate
SMILESCOC(=O)CCCCC(=O)CN
InChIInChI=1S/C8H15NO3/c1-12-8(11)5-3-2-4-7(10)6-9/h2-6,9H2,1H3
InChIKeyFZTCBDKWDUKWIS-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.25
Rot. Bonds6

About methyl 7-amino-6-oxoheptanoate

methyl 7-amino-6-oxoheptanoate (PubChem CID 86034752) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 7-amino-6-oxoheptanoate.

Molecular Properties

Compound Namemethyl 7-amino-6-oxoheptanoate
PubChem CID86034752
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 7-amino-6-oxoheptanoate
SMILESCOC(=O)CCCCC(=O)CN
InChIInChI=1S/C8H15NO3/c1-12-8(11)5-3-2-4-7(10)6-9/h2-6,9H2,1H3
InChIKeyFZTCBDKWDUKWIS-UHFFFAOYSA-N
XLogP0.25
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.25
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

methyl 8-amino-7-oxooctanoate
CID 23251276
methyl 5-amino-4-oxopentanoate chloride
CID 53313200
dimethyl 9-oxooctadecanedioate
CID 544455
methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate
CID 157367237
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl 10-aminodecanoate
CID 10655700
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 11-aminoundecanoate;hydrochloride
CID 12720706

Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-6-oxoheptanoate?
The IUPAC name of methyl 7-amino-6-oxoheptanoate (CID 86034752) is methyl 7-amino-6-oxoheptanoate.
What is the SMILES notation for methyl 7-amino-6-oxoheptanoate?
The canonical SMILES for methyl 7-amino-6-oxoheptanoate is COC(=O)CCCCC(=O)CN.
What is the InChIKey of methyl 7-amino-6-oxoheptanoate?
The InChIKey is FZTCBDKWDUKWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-12-8(11)5-3-2-4-7(10)6-9/h2-6,9H2,1H3.
What are the key properties of methyl 7-amino-6-oxoheptanoate?
methyl 7-amino-6-oxoheptanoate has a molecular weight of 173.21 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-6-oxoheptanoate is sourced from PubChem (CID 86034752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).