N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide

C18H31NO3 — CID 100938811

IUPACN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](CO)[C@@H](C)CC
InChIInChI=1S/C18H31NO3/c1-4-6-7-8-15-14(9-10-17(15)21)11-18(22)19-16(12-20)13(3)5-2/h6-7,13-16,20H,4-5,8-12H2,1-3H3,(H,19,22)/b7-6-/t13-,14+,15+,16+/m0/s1
InChIKeyYLHGEDDGCIVMFE-DOBCRSMGSA-N
MW309.45 g/mol
LogP2.85
Rot. Bonds9

About N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide

N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide (PubChem CID 100938811) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
PubChem CID100938811
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC NameN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](CO)[C@@H](C)CC
InChIInChI=1S/C18H31NO3/c1-4-6-7-8-15-14(9-10-17(15)21)11-18(22)19-16(12-20)13(3)5-2/h6-7,13-16,20H,4-5,8-12H2,1-3H3,(H,19,22)/b7-6-/t13-,14+,15+,16+/m0/s1
InChIKeyYLHGEDDGCIVMFE-DOBCRSMGSA-N
XLogP2.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]propanoic acid
CID 146037330
(2S,3S)-3-methyl-2-[[2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoate
CID 146037282
methyl (2S)-3-methyl-2-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]butanoate
CID 14455498
methyl 3-methyl-2-[[2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]butanoate
CID 6427972
(2,5-dioxopyrrolidin-1-yl) (2S,3S)-3-methyl-2-[[2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoate
CID 102489020
methyl 2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S,2R)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 157434291
methyl 2-[(1S)-3-oxo-2-pent-2-enylcyclopentyl]acetate
CID 91500588
2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid
CID 7067458
methyl 2-[2-(2,3-dibromopentyl)-3-oxocyclopentyl]acetate;methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 158002521
methyl 3-methyl-2-[[2-[(1R,2S)-3-oxo-2-[(2E)-penta-2,4-dienyl]cyclopentyl]acetyl]amino]pentanoate
CID 91752069
2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;hydrochloride
CID 175288857
2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
CID 174803900

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide?
The IUPAC name of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide (CID 100938811) is N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide.
What is the SMILES notation for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide?
The canonical SMILES for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide is CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](CO)[C@@H](C)CC.
What is the InChIKey of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide?
The InChIKey is YLHGEDDGCIVMFE-DOBCRSMGSA-N. The full InChI is InChI=1S/C18H31NO3/c1-4-6-7-8-15-14(9-10-17(15)21)11-18(22)19-16(12-20)13(3)5-2/h6-7,13-16,20H,4-5,8-12H2,1-3H3,(H,19,22)/b7-6-/t13-,14+,15+,16+/m0/s1.
What are the key properties of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide?
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide has a molecular weight of 309.45 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide is sourced from PubChem (CID 100938811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).