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

C13H25NO2 — CID 58185418

IUPAC(2S,3R)-3-methoxy-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]butanamide
SMILESCO[C@H](C)[C@H](C)C(=O)NCC1(C(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-9(2)13(6-7-13)8-14-12(15)10(3)11(4)16-5/h9-11H,6-8H2,1-5H3,(H,14,15)/t10-,11+/m0/s1
InChIKeyRLINBAIDBQOLQO-WDEREUQCSA-N
MW227.35 g/mol
LogP2.21
Rot. Bonds6

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

(2S,3R)-3-methoxy-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]butanamide (PubChem CID 58185418) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2S,3R)-3-methoxy-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound Name(2S,3R)-3-methoxy-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]butanamide
PubChem CID58185418
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(2S,3R)-3-methoxy-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]butanamide
SMILESCO[C@H](C)[C@H](C)C(=O)NCC1(C(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-9(2)13(6-7-13)8-14-12(15)10(3)11(4)16-5/h9-11H,6-8H2,1-5H3,(H,14,15)/t10-,11+/m0/s1
InChIKeyRLINBAIDBQOLQO-WDEREUQCSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.21
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-[(1-propan-2-ylcyclopropyl)methyl]butanamide?
The IUPAC name of (2S,3R)-3-methoxy-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]butanamide (CID 58185418) is (2S,3R)-3-methoxy-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]butanamide.
What is the SMILES notation for (2S,3R)-3-methoxy-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]butanamide?
The canonical SMILES for (2S,3R)-3-methoxy-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]butanamide is CO[C@H](C)[C@H](C)C(=O)NCC1(C(C)C)CC1.
What is the InChIKey of (2S,3R)-3-methoxy-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]butanamide?
The InChIKey is RLINBAIDBQOLQO-WDEREUQCSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(2)13(6-7-13)8-14-12(15)10(3)11(4)16-5/h9-11H,6-8H2,1-5H3,(H,14,15)/t10-,11+/m0/s1.
What are the key properties of (2S,3R)-3-methoxy-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]butanamide?
(2S,3R)-3-methoxy-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]butanamide has a molecular weight of 227.35 g/mol, XLogP of 2.21, 6 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-[(1-propan-2-ylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 58185418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).