(3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane

C7H18N2O2 — CID 155713774

IUPAC(3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane
SMILESCC.CNC(=O)C[C@H](N)CO
InChIInChI=1S/C5H12N2O2.C2H6/c1-7-5(9)2-4(6)3-8;1-2/h4,8H,2-3,6H2,1H3,(H,7,9);1-2H3/t4-;/m0./s1
InChIKeyKHILQPIUBYRNRJ-WCCKRBBISA-N
MW162.23 g/mol
LogP-0.53
Rot. Bonds3

About (3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane

(3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane (PubChem CID 155713774) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is (3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane.

Molecular Properties

Compound Name(3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane
PubChem CID155713774
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name(3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane
SMILESCC.CNC(=O)C[C@H](N)CO
InChIInChI=1S/C5H12N2O2.C2H6/c1-7-5(9)2-4(6)3-8;1-2/h4,8H,2-3,6H2,1H3,(H,7,9);1-2H3/t4-;/m0./s1
InChIKeyKHILQPIUBYRNRJ-WCCKRBBISA-N
XLogP-0.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane?
The IUPAC name of (3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane (CID 155713774) is (3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane.
What is the SMILES notation for (3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane?
The canonical SMILES for (3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane is CC.CNC(=O)C[C@H](N)CO.
What is the InChIKey of (3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane?
The InChIKey is KHILQPIUBYRNRJ-WCCKRBBISA-N. The full InChI is InChI=1S/C5H12N2O2.C2H6/c1-7-5(9)2-4(6)3-8;1-2/h4,8H,2-3,6H2,1H3,(H,7,9);1-2H3/t4-;/m0./s1.
What are the key properties of (3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane?
(3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane has a molecular weight of 162.23 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-hydroxy-N-methylbutanamide;ethane is sourced from PubChem (CID 155713774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).