N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide

C10H19NO3 — CID 136580842

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1(C)COC1
InChIInChI=1S/C10H19NO3/c1-7(2)8(4-12)11-9(13)10(3)5-14-6-10/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t8-/m1/s1
InChIKeyLUWIZVLMPPGTHL-MRVPVSSYSA-N
MW201.27 g/mol
LogP0.16
Rot. Bonds4

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide (PubChem CID 136580842) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide
PubChem CID136580842
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1(C)COC1
InChIInChI=1S/C10H19NO3/c1-7(2)8(4-12)11-9(13)10(3)5-14-6-10/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t8-/m1/s1
InChIKeyLUWIZVLMPPGTHL-MRVPVSSYSA-N
XLogP0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide (CID 136580842) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide is CC(C)[C@@H](CO)NC(=O)C1(C)COC1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide?
The InChIKey is LUWIZVLMPPGTHL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)8(4-12)11-9(13)10(3)5-14-6-10/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t8-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide has a molecular weight of 201.27 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 136580842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).