(2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide

C7H15NO2 — CID 59641758

IUPAC(2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)[C@H](C)O
InChIInChI=1S/C7H15NO2/c1-5(2)8(4)7(10)6(3)9/h5-6,9H,1-4H3/t6-/m0/s1
InChIKeyQREKHBTWAVOAJN-LURJTMIESA-N
MW145.20 g/mol
LogP0.23
Rot. Bonds2

About (2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide

(2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide (PubChem CID 59641758) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
PubChem CID59641758
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)[C@H](C)O
InChIInChI=1S/C7H15NO2/c1-5(2)8(4)7(10)6(3)9/h5-6,9H,1-4H3/t6-/m0/s1
InChIKeyQREKHBTWAVOAJN-LURJTMIESA-N
XLogP0.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide (CID 59641758) is (2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide is CC(C)N(C)C(=O)[C@H](C)O.
What is the InChIKey of (2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide?
The InChIKey is QREKHBTWAVOAJN-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)8(4)7(10)6(3)9/h5-6,9H,1-4H3/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide?
(2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide has a molecular weight of 145.20 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 59641758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).