(2S)-2-(ethylamino)-4-hydroxybutanoic acid

C6H13NO3 — CID 54197422

IUPAC(2S)-2-(ethylamino)-4-hydroxybutanoic acid
SMILESCCN[C@@H](CCO)C(=O)O
InChIInChI=1S/C6H13NO3/c1-2-7-5(3-4-8)6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyPMVCNHSBZOGHMJ-YFKPBYRVSA-N
MW147.17 g/mol
LogP-0.57
Rot. Bonds5

About (2S)-2-(ethylamino)-4-hydroxybutanoic acid

(2S)-2-(ethylamino)-4-hydroxybutanoic acid (PubChem CID 54197422) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S)-2-(ethylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-(ethylamino)-4-hydroxybutanoic acid
PubChem CID54197422
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S)-2-(ethylamino)-4-hydroxybutanoic acid
SMILESCCN[C@@H](CCO)C(=O)O
InChIInChI=1S/C6H13NO3/c1-2-7-5(3-4-8)6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyPMVCNHSBZOGHMJ-YFKPBYRVSA-N
XLogP-0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylamino)-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-(ethylamino)-4-hydroxybutanoic acid (CID 54197422) is (2S)-2-(ethylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-(ethylamino)-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-(ethylamino)-4-hydroxybutanoic acid is CCN[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-2-(ethylamino)-4-hydroxybutanoic acid?
The InChIKey is PMVCNHSBZOGHMJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-7-5(3-4-8)6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2-(ethylamino)-4-hydroxybutanoic acid?
(2S)-2-(ethylamino)-4-hydroxybutanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 54197422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).