2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid

C11H18N4O7S — CID 168681853

IUPAC2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid
SMILESNS(=O)(=O)CC1CC(=O)N(CC(=O)NCC(=O)NCC(=O)O)C1
InChIInChI=1S/C11H18N4O7S/c12-23(21,22)6-7-1-10(18)15(4-7)5-9(17)13-2-8(16)14-3-11(19)20/h7H,1-6H2,(H,13,17)(H,14,16)(H,19,20)(H2,12,21,22)
InChIKeyFYFCVPGRTAOFMF-UHFFFAOYSA-N
MW350.35 g/mol
LogP-3.56
Rot. Bonds8

About 2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 168681853) has the molecular formula C11H18N4O7S and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid
PubChem CID168681853
Molecular FormulaC11H18N4O7S
Molecular Weight350.35 g/mol
Exact Mass350.09
IUPAC Name2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid
SMILESNS(=O)(=O)CC1CC(=O)N(CC(=O)NCC(=O)NCC(=O)O)C1
InChIInChI=1S/C11H18N4O7S/c12-23(21,22)6-7-1-10(18)15(4-7)5-9(17)13-2-8(16)14-3-11(19)20/h7H,1-6H2,(H,13,17)(H,14,16)(H,19,20)(H2,12,21,22)
InChIKeyFYFCVPGRTAOFMF-UHFFFAOYSA-N
XLogP-3.56
TPSA175.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 5-3.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid
CID 168660146
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
[1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681848
(2S)-2-acetamido-6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]hexanoic acid
CID 168680225
[1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675045
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid
CID 168680383
[5-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
CID 168681920
[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682163
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 168504856
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168504859
[1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680737

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid (CID 168681853) is 2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid is NS(=O)(=O)CC1CC(=O)N(CC(=O)NCC(=O)NCC(=O)O)C1.
What is the InChIKey of 2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is FYFCVPGRTAOFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O7S/c12-23(21,22)6-7-1-10(18)15(4-7)5-9(17)13-2-8(16)14-3-11(19)20/h7H,1-6H2,(H,13,17)(H,14,16)(H,19,20)(H2,12,21,22).
What are the key properties of 2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 350.35 g/mol, XLogP of -3.56, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 168681853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).