(2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide

C14H27NO2 — CID 58185401

IUPAC(2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide
SMILESCO[C@H](C)[C@H](C)C(=O)N[C@H]1CCC[C@@H]1C(C)C
InChIInChI=1S/C14H27NO2/c1-9(2)12-7-6-8-13(12)15-14(16)10(3)11(4)17-5/h9-13H,6-8H2,1-5H3,(H,15,16)/t10-,11+,12+,13-/m0/s1
InChIKeyWAJRHQHKPBCRIK-LOWDOPEQSA-N
MW241.38 g/mol
LogP2.60
Rot. Bonds5

About (2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide

(2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide (PubChem CID 58185401) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is (2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide.

Molecular Properties

Compound Name(2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide
PubChem CID58185401
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC Name(2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide
SMILESCO[C@H](C)[C@H](C)C(=O)N[C@H]1CCC[C@@H]1C(C)C
InChIInChI=1S/C14H27NO2/c1-9(2)12-7-6-8-13(12)15-14(16)10(3)11(4)17-5/h9-13H,6-8H2,1-5H3,(H,15,16)/t10-,11+,12+,13-/m0/s1
InChIKeyWAJRHQHKPBCRIK-LOWDOPEQSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide?
The IUPAC name of (2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide (CID 58185401) is (2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide.
What is the SMILES notation for (2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide?
The canonical SMILES for (2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide is CO[C@H](C)[C@H](C)C(=O)N[C@H]1CCC[C@@H]1C(C)C.
What is the InChIKey of (2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide?
The InChIKey is WAJRHQHKPBCRIK-LOWDOPEQSA-N. The full InChI is InChI=1S/C14H27NO2/c1-9(2)12-7-6-8-13(12)15-14(16)10(3)11(4)17-5/h9-13H,6-8H2,1-5H3,(H,15,16)/t10-,11+,12+,13-/m0/s1.
What are the key properties of (2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide?
(2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide has a molecular weight of 241.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methoxy-2-methyl-N-[(1S,2R)-2-propan-2-ylcyclopentyl]butanamide is sourced from PubChem (CID 58185401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).