1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid

C9H16N2O5S — CID 106332650

IUPAC1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCS(=O)(=O)NCCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C9H16N2O5S/c1-17(15,16)10-3-2-4-11-6-7(9(13)14)5-8(11)12/h7,10H,2-6H2,1H3,(H,13,14)
InChIKeyNNXZQSDXDKEAGC-UHFFFAOYSA-N
MW264.30 g/mol
LogP-1.14
Rot. Bonds6

About 1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid

1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 106332650) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID106332650
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Name1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCS(=O)(=O)NCCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C9H16N2O5S/c1-17(15,16)10-3-2-4-11-6-7(9(13)14)5-8(11)12/h7,10H,2-6H2,1H3,(H,13,14)
InChIKeyNNXZQSDXDKEAGC-UHFFFAOYSA-N
XLogP-1.14
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
CID 106339803
5-oxo-1-(3-sulfopropyl)pyrrolidine-3-carboxylic acid
CID 168691341
1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82512183
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 43552674
5-oxo-1-(2-sulfoethyl)pyrrolidine-3-carboxylic acid
CID 83295024
5-oxo-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 115515986

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid (CID 106332650) is 1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid is CS(=O)(=O)NCCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NNXZQSDXDKEAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-17(15,16)10-3-2-4-11-6-7(9(13)14)5-8(11)12/h7,10H,2-6H2,1H3,(H,13,14).
What are the key properties of 1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 264.30 g/mol, XLogP of -1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methanesulfonamido)propyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106332650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).