5-(dimethylamino)pent-3-ynoic acid

C7H11NO2 — CID 105428205

IUPAC5-(dimethylamino)pent-3-ynoic acid
SMILESCN(C)CC#CCC(=O)O
InChIInChI=1S/C7H11NO2/c1-8(2)6-4-3-5-7(9)10/h5-6H2,1-2H3,(H,9,10)
InChIKeyPKUDXWPIRJSLFL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.03
Rot. Bonds2

About 5-(dimethylamino)pent-3-ynoic acid

5-(dimethylamino)pent-3-ynoic acid (PubChem CID 105428205) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-(dimethylamino)pent-3-ynoic acid.

Molecular Properties

Compound Name5-(dimethylamino)pent-3-ynoic acid
PubChem CID105428205
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name5-(dimethylamino)pent-3-ynoic acid
SMILESCN(C)CC#CCC(=O)O
InChIInChI=1S/C7H11NO2/c1-8(2)6-4-3-5-7(9)10/h5-6H2,1-2H3,(H,9,10)
InChIKeyPKUDXWPIRJSLFL-UHFFFAOYSA-N
XLogP0.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)but-2-ynoic acid lithium hydride
CID 171035063
5-(dimethylamino)pent-3-yn-2-one
CID 129178345
7-(dimethylamino)-3-methylhept-5-yn-2-one
CID 15685978
icosa-3,7-diynoic acid
CID 164519599
5-(dimethylamino)pent-3-yne-1-thiol
CID 137391318
5-(1,3-dithian-2-yl)-N,N-dimethylpent-2-yn-1-amine;oxalic acid
CID 14652288
N-acetyl-N-[5-(dimethylamino)pent-3-yn-2-yl]acetamide
CID 14025467
azane;2-(dimethylamino)acetic acid
CID 172828475
[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylcarbamic acid
CID 22567888
4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide
CID 170208828
acetic acid;but-3-ynoic acid
CID 175701054
4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]but-2-ynamide
CID 130978657

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)pent-3-ynoic acid?
The IUPAC name of 5-(dimethylamino)pent-3-ynoic acid (CID 105428205) is 5-(dimethylamino)pent-3-ynoic acid.
What is the SMILES notation for 5-(dimethylamino)pent-3-ynoic acid?
The canonical SMILES for 5-(dimethylamino)pent-3-ynoic acid is CN(C)CC#CCC(=O)O.
What is the InChIKey of 5-(dimethylamino)pent-3-ynoic acid?
The InChIKey is PKUDXWPIRJSLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8(2)6-4-3-5-7(9)10/h5-6H2,1-2H3,(H,9,10).
What are the key properties of 5-(dimethylamino)pent-3-ynoic acid?
5-(dimethylamino)pent-3-ynoic acid has a molecular weight of 141.17 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)pent-3-ynoic acid is sourced from PubChem (CID 105428205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).