(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid

C5H11NO4 — CID 54359256

IUPAC(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
SMILESO=C(O)[C@H](CO)NCCO
InChIInChI=1S/C5H11NO4/c7-2-1-6-4(3-8)5(9)10/h4,6-8H,1-3H2,(H,9,10)/t4-/m0/s1
InChIKeyULHZSZNQMXOHIS-BYPYZUCNSA-N
MW149.15 g/mol
LogP-1.99
Rot. Bonds5

About (2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid

(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid (PubChem CID 54359256) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
PubChem CID54359256
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
SMILESO=C(O)[C@H](CO)NCCO
InChIInChI=1S/C5H11NO4/c7-2-1-6-4(3-8)5(9)10/h4,6-8H,1-3H2,(H,9,10)/t4-/m0/s1
InChIKeyULHZSZNQMXOHIS-BYPYZUCNSA-N
XLogP-1.99
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
(2S)-2-(2,2-dihydroxyethylamino)-3-hydroxypropanoic acid
CID 141052833
(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid
CID 70101907
3-hydroxy-2-(2-methylpropylamino)propanoic acid
CID 83635492
acetic acid;2-(ethylamino)-3-hydroxypropanoic acid
CID 87797197
(2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid
CID 25153772
2-(3-azidopropylamino)-3-hydroxypropanoic acid
CID 104711302
(2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid
CID 150887709
(2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid
CID 87118755
2-(2-hydroxyethylamino)-3-(2-methyl-1,3-dioxolan-2-yl)propanoic acid
CID 123306359
3-hydroxy-2-(2,3,4,5,6-pentahydroxyhexylamino)propanoic acid
CID 21427717

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid (CID 54359256) is (2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid is O=C(O)[C@H](CO)NCCO.
What is the InChIKey of (2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid?
The InChIKey is ULHZSZNQMXOHIS-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO4/c7-2-1-6-4(3-8)5(9)10/h4,6-8H,1-3H2,(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid?
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid has a molecular weight of 149.15 g/mol, XLogP of -1.99, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid is sourced from PubChem (CID 54359256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).