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

C5H11NO4 — CID 131101909

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

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

(2S)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid (PubChem CID 131101909) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid
PubChem CID131101909
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(2S)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid
SMILESO=C(O)[C@@H](O)CNCCO
InChIInChI=1S/C5H11NO4/c7-2-1-6-3-4(8)5(9)10/h4,6-8H,1-3H2,(H,9,10)/t4-/m0/s1
InChIKeyRZPNJWYRUDDMEA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol
CID 23460146
carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
3,3,3-trifluoro-2-[(2-hydroxyethylamino)methyl]propanoic acid
CID 103238257
(2S)-3-formamido-2-hydroxypropanoic acid
CID 22855355
3-amino-4-(2-hydroxyethylamino)butanoic acid;azane
CID 88714646
2-(2-hydroxyethylamino)ethanol;2,3,4,5,6-pentahydroxyhexanoic acid
CID 78178362
2,3-dihydroxypropanoic acid
CID 175601105
1-(2-hydroxyethylamino)propan-2-ol;propane
CID 145289862
methyl 3-(2-hydroxyethylamino)-2-methylpropanoate
CID 43398406
CID 158303129
CID 158303129
alumane;2,3-dihydroxypropanoic acid
CID 173322444
CID 131873477
CID 131873477

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid (CID 131101909) is (2S)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid is O=C(O)[C@@H](O)CNCCO.
What is the InChIKey of (2S)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid?
The InChIKey is RZPNJWYRUDDMEA-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO4/c7-2-1-6-3-4(8)5(9)10/h4,6-8H,1-3H2,(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid?
(2S)-2-hydroxy-3-(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)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid is sourced from PubChem (CID 131101909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).