(2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide

C6H14N2O3 — CID 87399321

IUPAC(2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide
SMILESCC(O)NC(=O)[C@@H](N)CCO
InChIInChI=1S/C6H14N2O3/c1-4(10)8-6(11)5(7)2-3-9/h4-5,9-10H,2-3,7H2,1H3,(H,8,11)/t4?,5-/m0/s1
InChIKeyYTZNPULURFQRHW-AKGZTFGVSA-N
MW162.19 g/mol
LogP-1.85
Rot. Bonds4

About (2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide

(2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide (PubChem CID 87399321) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is (2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide
PubChem CID87399321
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name(2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide
SMILESCC(O)NC(=O)[C@@H](N)CCO
InChIInChI=1S/C6H14N2O3/c1-4(10)8-6(11)5(7)2-3-9/h4-5,9-10H,2-3,7H2,1H3,(H,8,11)/t4?,5-/m0/s1
InChIKeyYTZNPULURFQRHW-AKGZTFGVSA-N
XLogP-1.85
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide?
The IUPAC name of (2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide (CID 87399321) is (2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide?
The canonical SMILES for (2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide is CC(O)NC(=O)[C@@H](N)CCO.
What is the InChIKey of (2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide?
The InChIKey is YTZNPULURFQRHW-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-4(10)8-6(11)5(7)2-3-9/h4-5,9-10H,2-3,7H2,1H3,(H,8,11)/t4?,5-/m0/s1.
What are the key properties of (2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide?
(2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide has a molecular weight of 162.19 g/mol, XLogP of -1.85, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-hydroxy-N-(1-hydroxyethyl)butanamide is sourced from PubChem (CID 87399321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).