2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid

C11H19N5O5 — CID 61408091

IUPAC2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C11H19N5O5/c17-8(13-7-10(19)20)5-14-11(21)15-6-9(18)16-3-1-12-2-4-16/h12H,1-7H2,(H,13,17)(H,19,20)(H2,14,15,21)
InChIKeyFNIWAHJCUXURFL-UHFFFAOYSA-N
MW301.30 g/mol
LogP-3.08
Rot. Bonds6

About 2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid

2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid (PubChem CID 61408091) has the molecular formula C11H19N5O5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid
PubChem CID61408091
Molecular FormulaC11H19N5O5
Molecular Weight301.30 g/mol
Exact Mass301.14
IUPAC Name2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C11H19N5O5/c17-8(13-7-10(19)20)5-14-11(21)15-6-9(18)16-3-1-12-2-4-16/h12H,1-7H2,(H,13,17)(H,19,20)(H2,14,15,21)
InChIKeyFNIWAHJCUXURFL-UHFFFAOYSA-N
XLogP-3.08
TPSA139.87 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-3.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid with MolForge

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Related Compounds

1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
CID 61176089
2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 61176260
4-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 61408281
(2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 103927700
3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 61408614
2-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 61176259
(2S)-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]pentanoic acid
CID 107566361
2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 115736845
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119416513
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide;hydrochloride
CID 119402544
2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 28708756

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid (CID 61408091) is 2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)NCC(=O)N1CCNCC1.
What is the InChIKey of 2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid?
The InChIKey is FNIWAHJCUXURFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O5/c17-8(13-7-10(19)20)5-14-11(21)15-6-9(18)16-3-1-12-2-4-16/h12H,1-7H2,(H,13,17)(H,19,20)(H2,14,15,21).
What are the key properties of 2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid?
2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid has a molecular weight of 301.30 g/mol, XLogP of -3.08, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 61408091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).