2-hydroxyethyl 3-aminopropanoate

C5H11NO3 — CID 22321350

IUPAC2-hydroxyethyl 3-aminopropanoate
SMILESNCCC(=O)OCCO
InChIInChI=1S/C5H11NO3/c6-2-1-5(8)9-4-3-7/h7H,1-4,6H2
InChIKeyFCJUOGQZQMAPFV-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.13
Rot. Bonds4

About 2-hydroxyethyl 3-aminopropanoate

2-hydroxyethyl 3-aminopropanoate (PubChem CID 22321350) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-hydroxyethyl 3-aminopropanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-aminopropanoate
PubChem CID22321350
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-hydroxyethyl 3-aminopropanoate
SMILESNCCC(=O)OCCO
InChIInChI=1S/C5H11NO3/c6-2-1-5(8)9-4-3-7/h7H,1-4,6H2
InChIKeyFCJUOGQZQMAPFV-UHFFFAOYSA-N
XLogP-1.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566
1-O-(2-hydroxyethyl) 4-O-iodo butanedioate
CID 126722615
2-bromoethyl 3-aminopropanoate
CID 15703163
4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334
2-acetyloxyethyl 3-aminopropanoate
CID 22321345
bis(2-aminoethyl) butanedioate
CID 12073124
bis(bis(2-hydroxyethyl) butanedioate);pentanedioic acid
CID 175038974
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate
CID 175059981
but-3-ynyl 3-aminopropanoate
CID 50938564
2-hydroxyethyl 3-(dimethylamino)propanoate
CID 20769160
6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate
CID 87303267

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-aminopropanoate?
The IUPAC name of 2-hydroxyethyl 3-aminopropanoate (CID 22321350) is 2-hydroxyethyl 3-aminopropanoate.
What is the SMILES notation for 2-hydroxyethyl 3-aminopropanoate?
The canonical SMILES for 2-hydroxyethyl 3-aminopropanoate is NCCC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 3-aminopropanoate?
The InChIKey is FCJUOGQZQMAPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c6-2-1-5(8)9-4-3-7/h7H,1-4,6H2.
What are the key properties of 2-hydroxyethyl 3-aminopropanoate?
2-hydroxyethyl 3-aminopropanoate has a molecular weight of 133.15 g/mol, XLogP of -1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-aminopropanoate is sourced from PubChem (CID 22321350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).