(2S)-2-(ethylamino)-3-hydroxypropanoic acid

C5H11NO3 — CID 12003152

IUPAC(2S)-2-(ethylamino)-3-hydroxypropanoic acid
SMILESCCN[C@@H](CO)C(=O)O
InChIInChI=1S/C5H11NO3/c1-2-6-4(3-7)5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyUDQZPEAGXXTEAV-BYPYZUCNSA-N
MW133.15 g/mol
LogP-0.96
Rot. Bonds4

About (2S)-2-(ethylamino)-3-hydroxypropanoic acid

(2S)-2-(ethylamino)-3-hydroxypropanoic acid (PubChem CID 12003152) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (2S)-2-(ethylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(ethylamino)-3-hydroxypropanoic acid
PubChem CID12003152
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(2S)-2-(ethylamino)-3-hydroxypropanoic acid
SMILESCCN[C@@H](CO)C(=O)O
InChIInChI=1S/C5H11NO3/c1-2-6-4(3-7)5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyUDQZPEAGXXTEAV-BYPYZUCNSA-N
XLogP-0.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-(ethylamino)-3-hydroxypropanoic acid (CID 12003152) is (2S)-2-(ethylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-(ethylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-(ethylamino)-3-hydroxypropanoic acid is CCN[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-(ethylamino)-3-hydroxypropanoic acid?
The InChIKey is UDQZPEAGXXTEAV-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO3/c1-2-6-4(3-7)5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1.
What are the key properties of (2S)-2-(ethylamino)-3-hydroxypropanoic acid?
(2S)-2-(ethylamino)-3-hydroxypropanoic acid has a molecular weight of 133.15 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 12003152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).