methyl 2-(hex-5-enylamino)acetate

C9H17NO2 — CID 86056437

IUPACmethyl 2-(hex-5-enylamino)acetate
SMILESC=CCCCCNCC(=O)OC
InChIInChI=1S/C9H17NO2/c1-3-4-5-6-7-10-8-9(11)12-2/h3,10H,1,4-8H2,2H3
InChIKeySCPJAUGAIUQJSD-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.11
Rot. Bonds7

About methyl 2-(hex-5-enylamino)acetate

methyl 2-(hex-5-enylamino)acetate (PubChem CID 86056437) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-(hex-5-enylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(hex-5-enylamino)acetate
PubChem CID86056437
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-(hex-5-enylamino)acetate
SMILESC=CCCCCNCC(=O)OC
InChIInChI=1S/C9H17NO2/c1-3-4-5-6-7-10-8-9(11)12-2/h3,10H,1,4-8H2,2H3
InChIKeySCPJAUGAIUQJSD-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[[(3R)-hex-1-en-3-yl]amino]acetate
CID 164673304
Methyl 2-(cyclohex-2-en-1-ylamino)acetate
CID 11126688
Methyl 2-(2,2-difluorohept-6-enylamino)acetate
CID 88267460
Ethyl 2-(hex-5-enylamino)acetate
CID 10867857
Methyl 2-[(prop-2-en-1-yl)amino]hex-5-enoate
CID 15356354
methyl 2-[[(Z)-octadec-9-enyl]amino]acetate
CID 10149958
Ethyl 2-(pent-4-enylamino)acetate
CID 10878349
ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate
CID 19070281
Ethyl 2-[(but-3-en-1-yl)amino]acetate
CID 23246216
Methyl 2-[(but-3-en-1-yl)amino]acetate
CID 55287320
Methyl 2-(undec-10-enylamino)acetate
CID 57554449
methyl N-hex-5-en-1-yl-3-methyl-L-valinate
CID 58005166

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hex-5-enylamino)acetate?
The IUPAC name of methyl 2-(hex-5-enylamino)acetate (CID 86056437) is methyl 2-(hex-5-enylamino)acetate.
What is the SMILES notation for methyl 2-(hex-5-enylamino)acetate?
The canonical SMILES for methyl 2-(hex-5-enylamino)acetate is C=CCCCCNCC(=O)OC.
What is the InChIKey of methyl 2-(hex-5-enylamino)acetate?
The InChIKey is SCPJAUGAIUQJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-4-5-6-7-10-8-9(11)12-2/h3,10H,1,4-8H2,2H3.
What are the key properties of methyl 2-(hex-5-enylamino)acetate?
methyl 2-(hex-5-enylamino)acetate has a molecular weight of 171.24 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hex-5-enylamino)acetate is sourced from PubChem (CID 86056437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).