N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide

C9H19NO3 — CID 105342956

IUPACN-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide
SMILESCC[C@@H](CO)NC(=O)C(C)(C)OC
InChIInChI=1S/C9H19NO3/c1-5-7(6-11)10-8(12)9(2,3)13-4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m0/s1
InChIKeyLHZWDNDVRLGNFC-ZETCQYMHSA-N
MW189.25 g/mol
LogP0.30
Rot. Bonds5

About N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide

N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide (PubChem CID 105342956) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide
PubChem CID105342956
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide
SMILESCC[C@@H](CO)NC(=O)C(C)(C)OC
InChIInChI=1S/C9H19NO3/c1-5-7(6-11)10-8(12)9(2,3)13-4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m0/s1
InChIKeyLHZWDNDVRLGNFC-ZETCQYMHSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide (CID 105342956) is N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide is CC[C@@H](CO)NC(=O)C(C)(C)OC.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide?
The InChIKey is LHZWDNDVRLGNFC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-7(6-11)10-8(12)9(2,3)13-4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide?
N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide has a molecular weight of 189.25 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 105342956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).