5-(dimethylamino)pent-2-ynoate

C7H10NO2- — CID 171137579

IUPAC5-(dimethylamino)pent-2-ynoate
SMILESCN(C)CCC#CC(=O)[O-]
InChIInChI=1S/C7H11NO2/c1-8(2)6-4-3-5-7(9)10/h4,6H2,1-2H3,(H,9,10)/p-1
InChIKeyFBHKZXMWDYVQIM-UHFFFAOYSA-M
MW140.16 g/mol
LogP-1.31
Rot. Bonds2

About 5-(dimethylamino)pent-2-ynoate

5-(dimethylamino)pent-2-ynoate (PubChem CID 171137579) has the molecular formula C7H10NO2- and a molecular weight of 140.16 g/mol. Its IUPAC name is 5-(dimethylamino)pent-2-ynoate.

Molecular Properties

Compound Name5-(dimethylamino)pent-2-ynoate
PubChem CID171137579
Molecular FormulaC7H10NO2-
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name5-(dimethylamino)pent-2-ynoate
SMILESCN(C)CCC#CC(=O)[O-]
InChIInChI=1S/C7H11NO2/c1-8(2)6-4-3-5-7(9)10/h4,6H2,1-2H3,(H,9,10)/p-1
InChIKeyFBHKZXMWDYVQIM-UHFFFAOYSA-M
XLogP-1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octa-2,4-diynoate
CID 5247370
4-(dimethylamino)but-1-yne-1-sulfonyl chloride
CID 117265349
sodium 2-(dimethylamino)acetate
CID 23695761
henicosa-2,4-diynoate
CID 102596615
hexadeca-2,4-diynoate
CID 102596611
dilithium;but-2-ynedioate
CID 11457691
2,2-dimethyloct-4-yn-3-one
CID 14044073
lithium 5-(dimethylamino)pentanoate
CID 172641180
disodium;4-[3-carboxylatopropyl-[5-(dimethylamino)pentyl]amino]butanoate
CID 168884961
2,2-dimethyltridec-4-yn-3-one
CID 15174370
2-hydroxy-2-methyloct-4-yn-3-one
CID 101429118
dipotassium;3-(dimethylamino)propanenitrile;sulfate
CID 174389046

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)pent-2-ynoate?
The IUPAC name of 5-(dimethylamino)pent-2-ynoate (CID 171137579) is 5-(dimethylamino)pent-2-ynoate.
What is the SMILES notation for 5-(dimethylamino)pent-2-ynoate?
The canonical SMILES for 5-(dimethylamino)pent-2-ynoate is CN(C)CCC#CC(=O)[O-].
What is the InChIKey of 5-(dimethylamino)pent-2-ynoate?
The InChIKey is FBHKZXMWDYVQIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11NO2/c1-8(2)6-4-3-5-7(9)10/h4,6H2,1-2H3,(H,9,10)/p-1.
What are the key properties of 5-(dimethylamino)pent-2-ynoate?
5-(dimethylamino)pent-2-ynoate has a molecular weight of 140.16 g/mol, XLogP of -1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)pent-2-ynoate is sourced from PubChem (CID 171137579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).