3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid

C11H20N4O5 — CID 61408614

IUPAC3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
SMILESCC(O)C(NC(=O)NCC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-7(16)9(10(18)19)14-11(20)13-6-8(17)15-4-2-12-3-5-15/h7,9,12,16H,2-6H2,1H3,(H,18,19)(H2,13,14,20)
InChIKeyXJJFYCQRXPPMQW-UHFFFAOYSA-N
MW288.30 g/mol
LogP-2.45
Rot. Bonds5

About 3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid

3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid (PubChem CID 61408614) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
PubChem CID61408614
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
SMILESCC(O)C(NC(=O)NCC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-7(16)9(10(18)19)14-11(20)13-6-8(17)15-4-2-12-3-5-15/h7,9,12,16H,2-6H2,1H3,(H,18,19)(H2,13,14,20)
InChIKeyXJJFYCQRXPPMQW-UHFFFAOYSA-N
XLogP-2.45
TPSA131.00 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-2.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
CID 61176089
(2S,3R)-3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)butanoic acid
CID 104965957
(2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 103927700
(2S)-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]pentanoic acid
CID 107566361
4-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 61408281
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61204346
2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid
CID 61408091
2-[[2-(azepan-1-yl)-2-oxoethyl]carbamoylamino]propanoic acid
CID 43823825
3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
CID 61405662
2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 28708756
2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 61176260
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid (CID 61408614) is 3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid is CC(O)C(NC(=O)NCC(=O)N1CCNCC1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid?
The InChIKey is XJJFYCQRXPPMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-7(16)9(10(18)19)14-11(20)13-6-8(17)15-4-2-12-3-5-15/h7,9,12,16H,2-6H2,1H3,(H,18,19)(H2,13,14,20).
What are the key properties of 3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid?
3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid has a molecular weight of 288.30 g/mol, XLogP of -2.45, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 61408614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).