N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide

C12H23NO3 — CID 97351386

IUPACN-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide
SMILESCC(C)OCCCC(=O)N[C@H]1CCC[C@@H]1O
InChIInChI=1S/C12H23NO3/c1-9(2)16-8-4-7-12(15)13-10-5-3-6-11(10)14/h9-11,14H,3-8H2,1-2H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyVIBDAKBIUOXGEG-QWRGUYRKSA-N
MW229.32 g/mol
LogP1.22
Rot. Bonds6

About N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide

N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide (PubChem CID 97351386) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide
PubChem CID97351386
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide
SMILESCC(C)OCCCC(=O)N[C@H]1CCC[C@@H]1O
InChIInChI=1S/C12H23NO3/c1-9(2)16-8-4-7-12(15)13-10-5-3-6-11(10)14/h9-11,14H,3-8H2,1-2H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyVIBDAKBIUOXGEG-QWRGUYRKSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide
CID 97245059
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
N-(2-hydroxycyclopentyl)butanamide
CID 72951810
methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate
CID 10900833
N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide
CID 86929317
N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride
CID 71419667
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
5-hydroxy-N-(2-hydroxycyclohexyl)pentanamide
CID 79199015
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107216783
cis-(1S,3R)-3-(4-propan-2-yloxybutanoylamino)cyclopentane-1-carboxylic acid
CID 120690511
N-(2-hydroxycyclopentyl)-2-methoxyacetamide
CID 20644229
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]hexanamide
CID 107221663

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide (CID 97351386) is N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide is CC(C)OCCCC(=O)N[C@H]1CCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide?
The InChIKey is VIBDAKBIUOXGEG-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)16-8-4-7-12(15)13-10-5-3-6-11(10)14/h9-11,14H,3-8H2,1-2H3,(H,13,15)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide?
N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide has a molecular weight of 229.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide is sourced from PubChem (CID 97351386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).