2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide

C7H16N2O2 — CID 89042363

IUPAC2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide
SMILESCC[C@H](NC(=O)CN)C(C)O
InChIInChI=1S/C7H16N2O2/c1-3-6(5(2)10)9-7(11)4-8/h5-6,10H,3-4,8H2,1-2H3,(H,9,11)/t5?,6-/m0/s1
InChIKeyIWYBZVLGRSANEW-GDVGLLTNSA-N
MW160.22 g/mol
LogP-0.78
Rot. Bonds4

About 2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide

2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide (PubChem CID 89042363) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide
PubChem CID89042363
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide
SMILESCC[C@H](NC(=O)CN)C(C)O
InChIInChI=1S/C7H16N2O2/c1-3-6(5(2)10)9-7(11)4-8/h5-6,10H,3-4,8H2,1-2H3,(H,9,11)/t5?,6-/m0/s1
InChIKeyIWYBZVLGRSANEW-GDVGLLTNSA-N
XLogP-0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide?
The IUPAC name of 2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide (CID 89042363) is 2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide?
The canonical SMILES for 2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide is CC[C@H](NC(=O)CN)C(C)O.
What is the InChIKey of 2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide?
The InChIKey is IWYBZVLGRSANEW-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-6(5(2)10)9-7(11)4-8/h5-6,10H,3-4,8H2,1-2H3,(H,9,11)/t5?,6-/m0/s1.
What are the key properties of 2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide?
2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide has a molecular weight of 160.22 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide is sourced from PubChem (CID 89042363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).