N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide

C9H17NO2 — CID 131131449

IUPACN-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide
SMILESCC[C@@H]1C[C@H]1NC(=O)C(C)(C)O
InChIInChI=1S/C9H17NO2/c1-4-6-5-7(6)10-8(11)9(2,3)12/h6-7,12H,4-5H2,1-3H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyNPQUISOHYCHAKD-RNFRBKRXSA-N
MW171.24 g/mol
LogP0.67
Rot. Bonds3

About N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide

N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide (PubChem CID 131131449) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide
PubChem CID131131449
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide
SMILESCC[C@@H]1C[C@H]1NC(=O)C(C)(C)O
InChIInChI=1S/C9H17NO2/c1-4-6-5-7(6)10-8(11)9(2,3)12/h6-7,12H,4-5H2,1-3H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyNPQUISOHYCHAKD-RNFRBKRXSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide (CID 131131449) is N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide is CC[C@@H]1C[C@H]1NC(=O)C(C)(C)O.
What is the InChIKey of N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is NPQUISOHYCHAKD-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-5-7(6)10-8(11)9(2,3)12/h6-7,12H,4-5H2,1-3H3,(H,10,11)/t6-,7-/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide?
N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 131131449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).