2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate

C7H15NO4 — CID 87228341

IUPAC2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate
SMILESNCC(CCO)C(=O)OCCO
InChIInChI=1S/C7H15NO4/c8-5-6(1-2-9)7(11)12-4-3-10/h6,9-10H,1-5,8H2
InChIKeyWWFKZQIUTVNWMZ-UHFFFAOYSA-N
MW177.20 g/mol
LogP-1.52
Rot. Bonds6

About 2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate

2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate (PubChem CID 87228341) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate
PubChem CID87228341
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate
SMILESNCC(CCO)C(=O)OCCO
InChIInChI=1S/C7H15NO4/c8-5-6(1-2-9)7(11)12-4-3-10/h6,9-10H,1-5,8H2
InChIKeyWWFKZQIUTVNWMZ-UHFFFAOYSA-N
XLogP-1.52
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-(aminomethyl)hexanoate
CID 175966653
2-hydroxyethyl 2-ethylhexanoate
CID 10397600
2-hydroxyethyl 2-propylhexanoate
CID 58491956
undecyl 2-(aminomethyl)hexanoate
CID 21259295
sodium;hydride;2-hydroxyethyl (2S)-2-aminopropanoate
CID 174523367
2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate
CID 22892686
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate
CID 174781046
2,4-dihydroxybutaneperoxoic acid
CID 175057595
2-cyanoethyl 2-(aminomethyl)-4-ethoxybutanoate
CID 150260074
(2-oxooxolan-3-yl) 2-(aminomethyl)-4-hydroxybutanoate
CID 68636418
potassium;hydride;1-O-(2-hydroxyethyl) 4-O-stibanyl 2,3-dihydroxybutanedioate
CID 174945582

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate?
The IUPAC name of 2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate (CID 87228341) is 2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate.
What is the SMILES notation for 2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate?
The canonical SMILES for 2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate is NCC(CCO)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate?
The InChIKey is WWFKZQIUTVNWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c8-5-6(1-2-9)7(11)12-4-3-10/h6,9-10H,1-5,8H2.
What are the key properties of 2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate?
2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate has a molecular weight of 177.20 g/mol, XLogP of -1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate is sourced from PubChem (CID 87228341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).