5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid

C10H13NO3 — CID 104808350

IUPAC5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid
SMILESCC#CCCN1C(=O)CCC1C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-3-4-7-11-8(10(13)14)5-6-9(11)12/h8H,4-7H2,1H3,(H,13,14)
InChIKeyYFWAEAFYLGSROW-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.48
Rot. Bonds3

About 5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid

5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid (PubChem CID 104808350) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid
PubChem CID104808350
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid
SMILESCC#CCCN1C(=O)CCC1C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-3-4-7-11-8(10(13)14)5-6-9(11)12/h8H,4-7H2,1H3,(H,13,14)
InChIKeyYFWAEAFYLGSROW-UHFFFAOYSA-N
XLogP0.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.48
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

1-(3-cyanopropyl)-5-oxopyrrolidine-2-carboxylic acid
CID 62873820
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
5-oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid
CID 64566108
1-heptyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002593
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-oxopyrrolidine-2-carboxylic acid
CID 112590083
1-[3-(cyclopropylamino)-3-oxopropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874003
5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid
CID 106726403
1-(2-butylsulfanylethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 19370197
1-[(4-methylcyclohexyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354754
tetrakis((2R)-1-methyl-5-oxopyrrolidine-2-carboxylic acid);bis(rhodium)
CID 11297246
(2R)-1-[(3S)-3-cyclohexyl-3-hydroxypropyl]-5-oxopyrrolidine-2-carboxylic acid
CID 90878993

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid (CID 104808350) is 5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid is CC#CCCN1C(=O)CCC1C(=O)O.
What is the InChIKey of 5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid?
The InChIKey is YFWAEAFYLGSROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-3-4-7-11-8(10(13)14)5-6-9(11)12/h8H,4-7H2,1H3,(H,13,14).
What are the key properties of 5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid?
5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pent-3-ynylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104808350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).