2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid

C11H18N4O5 — CID 168660146

IUPAC2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid
SMILESNCC1CC(=O)N(CC(=O)NCC(=O)NCC(=O)O)C1
InChIInChI=1S/C11H18N4O5/c12-2-7-1-10(18)15(5-7)6-9(17)13-3-8(16)14-4-11(19)20/h7H,1-6,12H2,(H,13,17)(H,14,16)(H,19,20)
InChIKeyCDBLEGZITAVACZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP-2.89
Rot. Bonds7

About 2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 168660146) has the molecular formula C11H18N4O5 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid
PubChem CID168660146
Molecular FormulaC11H18N4O5
Molecular Weight286.29 g/mol
Exact Mass286.13
IUPAC Name2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid
SMILESNCC1CC(=O)N(CC(=O)NCC(=O)NCC(=O)O)C1
InChIInChI=1S/C11H18N4O5/c12-2-7-1-10(18)15(5-7)6-9(17)13-3-8(16)14-4-11(19)20/h7H,1-6,12H2,(H,13,17)(H,14,16)(H,19,20)
InChIKeyCDBLEGZITAVACZ-UHFFFAOYSA-N
XLogP-2.89
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-2.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2-[[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid
CID 168681853
4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 168659192
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
CID 168658977
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 168504856
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168504859
2-[[2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]amino]acetamide
CID 7038489
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43170515
2-(4-amino-2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 168700091
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
N-(2-hydroxyethyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 63100713
4-(aminomethyl)-1-benzylpyrrolidin-2-one;2,3-dihydroxybutanedioic acid
CID 14129465
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 168658772

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid (CID 168660146) is 2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid is NCC1CC(=O)N(CC(=O)NCC(=O)NCC(=O)O)C1.
What is the InChIKey of 2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is CDBLEGZITAVACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O5/c12-2-7-1-10(18)15(5-7)6-9(17)13-3-8(16)14-4-11(19)20/h7H,1-6,12H2,(H,13,17)(H,14,16)(H,19,20).
What are the key properties of 2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 286.29 g/mol, XLogP of -2.89, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 168660146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).