methoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid

C21H37NO4 — CID 144809041

IUPACmethoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
SMILESC=C1CCC(CC(=O)NC(C(=O)O)C(C)CC)C1C/C=C\CC.COC
InChIInChI=1S/C19H31NO3.C2H6O/c1-5-7-8-9-16-14(4)10-11-15(16)12-17(21)20-18(19(22)23)13(3)6-2;1-3-2/h7-8,13,15-16,18H,4-6,9-12H2,1-3H3,(H,20,21)(H,22,23);1-2H3/b8-7-;
InChIKeyOVFXNDHNAHTNKF-CFYXSCKTSA-N
MW367.53 g/mol
LogP4.19
Rot. Bonds9

About methoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid

methoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid (PubChem CID 144809041) has the molecular formula C21H37NO4 and a molecular weight of 367.53 g/mol. Its IUPAC name is methoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Namemethoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
PubChem CID144809041
Molecular FormulaC21H37NO4
Molecular Weight367.53 g/mol
Exact Mass367.27
IUPAC Namemethoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
SMILESC=C1CCC(CC(=O)NC(C(=O)O)C(C)CC)C1C/C=C\CC.COC
InChIInChI=1S/C19H31NO3.C2H6O/c1-5-7-8-9-16-14(4)10-11-15(16)12-17(21)20-18(19(22)23)13(3)6-2;1-3-2/h7-8,13,15-16,18H,4-6,9-12H2,1-3H3,(H,20,21)(H,22,23);1-2H3/b8-7-;
InChIKeyOVFXNDHNAHTNKF-CFYXSCKTSA-N
XLogP4.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-methyl-2-[[2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
CID 162926879
(2S,3S)-3-methyl-2-[[2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoate
CID 146037282
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
(2S)-2-[[2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]propanoic acid
CID 146037330
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
CID 100938811
methyl 3-methyl-2-[[2-[(1R,2S)-3-oxo-2-[(2E)-penta-2,4-dienyl]cyclopentyl]acetyl]amino]pentanoate
CID 91752069
N-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
CID 170315356
(2S,3S)-2-[[2-[(1S,2R)-2-hydroxy-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]-3-methylpentanoic acid
CID 162823326
(2S,3S)-2-[[2-[(1S,2S)-2-hydroxy-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]-3-methylpentanoic acid
CID 162823329
methyl 2-[2-(2,3-dibromopentyl)-3-oxocyclopentyl]acetate;methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 158002521
(2S)-3-methyl-2-[[2-(thian-4-yl)acetyl]amino]pentanoic acid
CID 83145180

Frequently Asked Questions

What is the IUPAC name of methoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid?
The IUPAC name of methoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid (CID 144809041) is methoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid.
What is the SMILES notation for methoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid?
The canonical SMILES for methoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid is C=C1CCC(CC(=O)NC(C(=O)O)C(C)CC)C1C/C=C\CC.COC.
What is the InChIKey of methoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid?
The InChIKey is OVFXNDHNAHTNKF-CFYXSCKTSA-N. The full InChI is InChI=1S/C19H31NO3.C2H6O/c1-5-7-8-9-16-14(4)10-11-15(16)12-17(21)20-18(19(22)23)13(3)6-2;1-3-2/h7-8,13,15-16,18H,4-6,9-12H2,1-3H3,(H,20,21)(H,22,23);1-2H3/b8-7-;.
What are the key properties of methoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid?
methoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid has a molecular weight of 367.53 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;3-methyl-2-[[2-[3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid is sourced from PubChem (CID 144809041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).