(2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide

C10H20N2O3 — CID 59063633

IUPAC(2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@H]1COC[C@@H]1O
InChIInChI=1S/C10H20N2O3/c1-6(2)3-7(11)10(14)12-8-4-15-5-9(8)13/h6-9,13H,3-5,11H2,1-2H3,(H,12,14)/t7-,8-,9-/m0/s1
InChIKeyCJWLXZSJAFLPJR-CIUDSAMLSA-N
MW216.28 g/mol
LogP-0.76
Rot. Bonds4

About (2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide

(2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide (PubChem CID 59063633) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide
PubChem CID59063633
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@H]1COC[C@@H]1O
InChIInChI=1S/C10H20N2O3/c1-6(2)3-7(11)10(14)12-8-4-15-5-9(8)13/h6-9,13H,3-5,11H2,1-2H3,(H,12,14)/t7-,8-,9-/m0/s1
InChIKeyCJWLXZSJAFLPJR-CIUDSAMLSA-N
XLogP-0.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide (CID 59063633) is (2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)N[C@H]1COC[C@@H]1O.
What is the InChIKey of (2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide?
The InChIKey is CJWLXZSJAFLPJR-CIUDSAMLSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(2)3-7(11)10(14)12-8-4-15-5-9(8)13/h6-9,13H,3-5,11H2,1-2H3,(H,12,14)/t7-,8-,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide?
(2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide has a molecular weight of 216.28 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methylpentanamide is sourced from PubChem (CID 59063633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).