2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid

C9H19N3O3 — CID 65442051

IUPAC2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid
SMILESNC(CN1CCN(CCO)CC1)C(=O)O
InChIInChI=1S/C9H19N3O3/c10-8(9(14)15)7-12-3-1-11(2-4-12)5-6-13/h8,13H,1-7,10H2,(H,14,15)
InChIKeyYWXWEKFPWHWPTG-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.99
Rot. Bonds5

About 2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid

2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid (PubChem CID 65442051) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid
PubChem CID65442051
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid
SMILESNC(CN1CCN(CCO)CC1)C(=O)O
InChIInChI=1S/C9H19N3O3/c10-8(9(14)15)7-12-3-1-11(2-4-12)5-6-13/h8,13H,1-7,10H2,(H,14,15)
InChIKeyYWXWEKFPWHWPTG-UHFFFAOYSA-N
XLogP-1.99
TPSA90.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
(2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid
CID 138475703
2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 62932657
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid
CID 64565025
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
methyl 2-bromo-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoate
CID 81100700
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate
CID 67621651
2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101001022
4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 22683899
2-[7-(2-amino-2-oxoethyl)-4-(carboxymethyl)-10-(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 170255326
(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one
CID 93339973

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid (CID 65442051) is 2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid is NC(CN1CCN(CCO)CC1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid?
The InChIKey is YWXWEKFPWHWPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c10-8(9(14)15)7-12-3-1-11(2-4-12)5-6-13/h8,13H,1-7,10H2,(H,14,15).
What are the key properties of 2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid?
2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid has a molecular weight of 217.27 g/mol, XLogP of -1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 65442051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).