N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide

C9H17NO2 — CID 163743916

IUPACN-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide
SMILESCC(=O)NCCC1CC[C@@H](O)C1
InChIInChI=1S/C9H17NO2/c1-7(11)10-5-4-8-2-3-9(12)6-8/h8-9,12H,2-6H2,1H3,(H,10,11)/t8?,9-/m1/s1
InChIKeyLKDVWKNRAPGSIN-YGPZHTELSA-N
MW171.24 g/mol
LogP0.67
Rot. Bonds3

About N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide

N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide (PubChem CID 163743916) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide
PubChem CID163743916
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide
SMILESCC(=O)NCCC1CC[C@@H](O)C1
InChIInChI=1S/C9H17NO2/c1-7(11)10-5-4-8-2-3-9(12)6-8/h8-9,12H,2-6H2,1H3,(H,10,11)/t8?,9-/m1/s1
InChIKeyLKDVWKNRAPGSIN-YGPZHTELSA-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-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide?
The IUPAC name of N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide (CID 163743916) is N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide?
The canonical SMILES for N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide is CC(=O)NCCC1CC[C@@H](O)C1.
What is the InChIKey of N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide?
The InChIKey is LKDVWKNRAPGSIN-YGPZHTELSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(11)10-5-4-8-2-3-9(12)6-8/h8-9,12H,2-6H2,1H3,(H,10,11)/t8?,9-/m1/s1.
What are the key properties of N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide?
N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide 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-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide is sourced from PubChem (CID 163743916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).