3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid

C10H20N4O4 — CID 61408498

IUPAC3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid
SMILESO=C(NCCN1CCNCC1)NC(CO)C(=O)O
InChIInChI=1S/C10H20N4O4/c15-7-8(9(16)17)13-10(18)12-3-6-14-4-1-11-2-5-14/h8,11,15H,1-7H2,(H,16,17)(H2,12,13,18)
InChIKeyZTPVEHXQHSJKMR-UHFFFAOYSA-N
MW260.29 g/mol
LogP-2.36
Rot. Bonds6

About 3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid

3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid (PubChem CID 61408498) has the molecular formula C10H20N4O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid
PubChem CID61408498
Molecular FormulaC10H20N4O4
Molecular Weight260.29 g/mol
Exact Mass260.15
IUPAC Name3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid
SMILESO=C(NCCN1CCNCC1)NC(CO)C(=O)O
InChIInChI=1S/C10H20N4O4/c15-7-8(9(16)17)13-10(18)12-3-6-14-4-1-11-2-5-14/h8,11,15H,1-7H2,(H,16,17)(H2,12,13,18)
InChIKeyZTPVEHXQHSJKMR-UHFFFAOYSA-N
XLogP-2.36
TPSA113.93 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-2.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid
CID 81086134
2-methyl-4-(2-piperazin-1-ylethylcarbamoylamino)butanoic acid
CID 80540814
(2S,3R)-3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)butanoic acid
CID 104965957
3-methyl-2-(2-piperazin-1-ylethylcarbamoylamino)pentanoic acid
CID 61408451
4-methoxy-2-(3-piperazin-1-ylpropylcarbamoylamino)butanoic acid
CID 62480603
2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid
CID 54967478
4-(2-piperazin-1-ylethylcarbamoylamino)butanoic acid
CID 61408408
1-ethenyl-3-(2-piperazin-1-ylethyl)urea
CID 108909147
2-(2-thiomorpholin-4-ylethylcarbamoylamino)pentanedioic acid
CID 106326231
1-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)urea
CID 108865910
N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108517854
(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 78976341

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid (CID 61408498) is 3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid is O=C(NCCN1CCNCC1)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid?
The InChIKey is ZTPVEHXQHSJKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4/c15-7-8(9(16)17)13-10(18)12-3-6-14-4-1-11-2-5-14/h8,11,15H,1-7H2,(H,16,17)(H2,12,13,18).
What are the key properties of 3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid?
3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid has a molecular weight of 260.29 g/mol, XLogP of -2.36, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 61408498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).