2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate

C5H11NO4 — CID 174781046

IUPAC2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate
SMILESN[C@@H](CO)C(=O)OCCO
InChIInChI=1S/C5H11NO4/c6-4(3-8)5(9)10-2-1-7/h4,7-8H,1-3,6H2/t4-/m0/s1
InChIKeyPXEHKTFJPHQEDJ-BYPYZUCNSA-N
MW149.15 g/mol
LogP-2.16
Rot. Bonds4

About 2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate

2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate (PubChem CID 174781046) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Name2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate
PubChem CID174781046
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate
SMILESN[C@@H](CO)C(=O)OCCO
InChIInChI=1S/C5H11NO4/c6-4(3-8)5(9)10-2-1-7/h4,7-8H,1-3,6H2/t4-/m0/s1
InChIKeyPXEHKTFJPHQEDJ-BYPYZUCNSA-N
XLogP-2.16
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-2.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

propyl (2R)-2-amino-3-hydroxypropanoate
CID 55281348
propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 131729419
2-hydroxyethyl (2S)-2,4-diamino-4-oxobutanoate
CID 87512081
2-propoxyethyl 2-amino-3-hydroxypropanoate
CID 63685229
heptyl 2-amino-3-hydroxypropanoate
CID 14657672
dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 146680818
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
phosphanyl (2S)-2-amino-3-hydroxypropanoate
CID 174799814
sodium;hydride;2-hydroxyethyl (2S)-2-aminopropanoate
CID 174523367
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
2-aminoacetic acid;hexadecyl (2S)-2-amino-3-hydroxypropanoate
CID 174820028

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate?
The IUPAC name of 2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate (CID 174781046) is 2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate.
What is the SMILES notation for 2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate?
The canonical SMILES for 2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate is N[C@@H](CO)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate?
The InChIKey is PXEHKTFJPHQEDJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO4/c6-4(3-8)5(9)10-2-1-7/h4,7-8H,1-3,6H2/t4-/m0/s1.
What are the key properties of 2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate?
2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate has a molecular weight of 149.15 g/mol, XLogP of -2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate is sourced from PubChem (CID 174781046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).