2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide

C9H20N2O2 — CID 61247308

IUPAC2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
SMILESCC(C)CC(CO)NC(C)C(N)=O
InChIInChI=1S/C9H20N2O2/c1-6(2)4-8(5-12)11-7(3)9(10)13/h6-8,11-12H,4-5H2,1-3H3,(H2,10,13)
InChIKeyZOJLMVSFEKUZAZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.14
Rot. Bonds6

About 2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide

2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide (PubChem CID 61247308) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
PubChem CID61247308
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
SMILESCC(C)CC(CO)NC(C)C(N)=O
InChIInChI=1S/C9H20N2O2/c1-6(2)4-8(5-12)11-7(3)9(10)13/h6-8,11-12H,4-5H2,1-3H3,(H2,10,13)
InChIKeyZOJLMVSFEKUZAZ-UHFFFAOYSA-N
XLogP-0.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide?
The IUPAC name of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide (CID 61247308) is 2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide.
What is the SMILES notation for 2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide?
The canonical SMILES for 2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide is CC(C)CC(CO)NC(C)C(N)=O.
What is the InChIKey of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide?
The InChIKey is ZOJLMVSFEKUZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-6(2)4-8(5-12)11-7(3)9(10)13/h6-8,11-12H,4-5H2,1-3H3,(H2,10,13).
What are the key properties of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide?
2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide has a molecular weight of 188.27 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide is sourced from PubChem (CID 61247308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).