methyl 3-(hept-1-enylamino)propanoate

C11H21NO2 — CID 168911722

IUPACmethyl 3-(hept-1-enylamino)propanoate
SMILESCCCCCC=CNCCC(=O)OC
InChIInChI=1S/C11H21NO2/c1-3-4-5-6-7-9-12-10-8-11(13)14-2/h7,9,12H,3-6,8,10H2,1-2H3
InChIKeyKDSQPKUWLPERAD-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.23
Rot. Bonds8

About methyl 3-(hept-1-enylamino)propanoate

methyl 3-(hept-1-enylamino)propanoate (PubChem CID 168911722) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 3-(hept-1-enylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(hept-1-enylamino)propanoate
PubChem CID168911722
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 3-(hept-1-enylamino)propanoate
SMILESCCCCCC=CNCCC(=O)OC
InChIInChI=1S/C11H21NO2/c1-3-4-5-6-7-9-12-10-8-11(13)14-2/h7,9,12H,3-6,8,10H2,1-2H3
InChIKeyKDSQPKUWLPERAD-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(oct-1-enylamino)propanoate
CID 168911743
methyl 3-(octadeca-1,3-dienylamino)propanoate
CID 168911750
methyl (Z)-undec-5-enoate
CID 11469683
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (Z)-octadec-9-enoate
CID 5364509
methyl dodec-5-enoate
CID 86010951
methyl (E)-octadec-7-enoate
CID 5364440
methyl (E)-octadec-12-enoate
CID 5364503
sodium 3-(dec-1-enylamino)propanoate
CID 168911697
methyl (Z)-octadec-9-enoate;phosphane
CID 175307960

Frequently Asked Questions

What is the IUPAC name of methyl 3-(hept-1-enylamino)propanoate?
The IUPAC name of methyl 3-(hept-1-enylamino)propanoate (CID 168911722) is methyl 3-(hept-1-enylamino)propanoate.
What is the SMILES notation for methyl 3-(hept-1-enylamino)propanoate?
The canonical SMILES for methyl 3-(hept-1-enylamino)propanoate is CCCCCC=CNCCC(=O)OC.
What is the InChIKey of methyl 3-(hept-1-enylamino)propanoate?
The InChIKey is KDSQPKUWLPERAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-5-6-7-9-12-10-8-11(13)14-2/h7,9,12H,3-6,8,10H2,1-2H3.
What are the key properties of methyl 3-(hept-1-enylamino)propanoate?
methyl 3-(hept-1-enylamino)propanoate has a molecular weight of 199.29 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hept-1-enylamino)propanoate is sourced from PubChem (CID 168911722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).