(2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide

C8H15NO2 — CID 176728310

IUPAC(2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide
SMILESCNC(=O)[C@H]1OC[C@H]1C(C)C
InChIInChI=1S/C8H15NO2/c1-5(2)6-4-11-7(6)8(10)9-3/h5-7H,4H2,1-3H3,(H,9,10)/t6-,7-/m0/s1
InChIKeyRVCOAYNANMYSDD-BQBZGAKWSA-N
MW157.21 g/mol
LogP0.40
Rot. Bonds2

About (2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide

(2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide (PubChem CID 176728310) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide
PubChem CID176728310
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide
SMILESCNC(=O)[C@H]1OC[C@H]1C(C)C
InChIInChI=1S/C8H15NO2/c1-5(2)6-4-11-7(6)8(10)9-3/h5-7H,4H2,1-3H3,(H,9,10)/t6-,7-/m0/s1
InChIKeyRVCOAYNANMYSDD-BQBZGAKWSA-N
XLogP0.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide?
The IUPAC name of (2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide (CID 176728310) is (2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide is CNC(=O)[C@H]1OC[C@H]1C(C)C.
What is the InChIKey of (2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide?
The InChIKey is RVCOAYNANMYSDD-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)6-4-11-7(6)8(10)9-3/h5-7H,4H2,1-3H3,(H,9,10)/t6-,7-/m0/s1.
What are the key properties of (2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide?
(2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide has a molecular weight of 157.21 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-methyl-3-propan-2-yloxetane-2-carboxamide is sourced from PubChem (CID 176728310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).